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2

Introductory Concepts

This chapter serves as an overview of some basic concepts that will be used extensively later

in the book. Naturally, when discussing semiconductors, it is necessary to ﬁrst describe the

crystal structure (Section 2.1), which incorporates three important topics: the classiﬁcation

of crystals by symmetry, Miller indices, and the concept of the reciprocal space.

After introducing crystal structures, we then introduce semiconductors (Section 2.2)

and discuss their properties. An understanding of semiconductors is incomplete without

the discussion of their electronic structure (Section 2.3). More details about various

semiempirical methods for electronic structure calculation are given in Appendix A.

A summary of the important semiconductors used today is provided in Section 2.4.

The discussion about the electronic structure is naturally followed by an introduction of

the concept of the effective mass (Section 2.5), the density of states calculation for the case

of analytic band structures (Section 2.6), and an introduction to the concept of the electron

mobility (Section 2.7).

Semiconductor statistics are discussed in Section 2.8 as it serves as a prelude in the des-

cription of the operation of the most commonly used semiconductor devices described in

Section 2.9, such as diodes, bipolar junction transistors (BJTs), metal oxide semiconductor ﬁeld

effect transistors (MOSFETs), silicon-on-insulator (SOI) devices, metal semiconductor

ﬁeld effect transistors (MESFETs), and high electron mobility transistors (HEMTs).

In mineralogy and crystallography [1–3], a crystal structure is a unique arrangement of

atoms in a crystal. A crystal structure is composed of a basis, a set of atoms arranged in a

particular way, and a lattice, as illustrated schematically in Figure 2.1. The basis is located

upon the points of a lattice spanned by lattice vectors, which is an array of points repeated

periodically in three dimensions (3D). The set of points forming a volume that can

completely ﬁll the space of the lattice when translated by integral multiples of the lattice

vectors is called the unit cell, as shown in the bottom half of Figure 2.1. The length of the

edge of a unit cell and the angle between the adjacent sides are called the lattice parameters.

The symmetry properties of the crystal are embodied in its space group. A crystal’s

structure and symmetry play a role in determining many of its properties, such as cleavage

planes, electronic band structure, and optical properties.

Although there are an inﬁnite number of ways to specify a unit cell, for each crystal

structure there is a conventional unit cell, which is chosen to display the full symmetry of the

crystal. However, the conventional unit cell is not always the smallest possible choice.

A primitive unit cell of a particular crystal structure is the smallest possible volume one can

construct with the arrangement of atoms in the crystal such that, when stacked, it com-

pletely ﬁlls the space. This primitive unit cell does not always display all the symmetries

23

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24 Computational Electronics

+ =

The “basis” may be a single atom,

or a small group of atoms.

a (x̂,ŷ,ẑ)

4

(0,0,0)

FIGURE 2.1

Deﬁnition of a lattice, basis and crystalline structure. Top panel: Two-dimensional. Bottom panel:

Three-dimensional.

inherent in the crystal. A Wigner–Seitz cell (named after E.P. Wigner and Frederick Seitz) is

a particular kind of primitive cell that has the same symmetry as the lattice. In a unit cell,

each atom has an identical environment when stacked in a 3D space. In a primitive

cell, each atom may not have the same environment. There are only seven possible crystal

systems that atoms can pack together to produce an inﬁnite 3D space lattice in such a way

that each lattice point has an identical environment to that around every other lattice point.

The deﬁning property of a crystal is its inherent symmetry, by which we mean that under

certain operations the crystal remains unchanged. For example, rotating the crystal 180

degrees about a certain axis may result in an atomic conﬁguration that is identical to the

original conﬁguration. The crystal is then said to have a twofold rotational symmetry about

this axis. In addition to rotational symmetries like this, a crystal may have symmetries in

the form of mirror planes and translational symmetries, and also the so-called compound

symmetries that are a combination of translation and rotation=mirror symmetries. A full

classiﬁcation of a crystal is achieved when all of these inherent symmetries of the crystal

are identiﬁed [4].

The crystal systems are a grouping of crystal structures according to the axial system

used to describe their lattice. Each crystal system consists of a set of three axes in a

particular geometrical arrangement. There are seven unique crystal systems. The simplest

and most symmetric, the cubic (or isometric) system, has the symmetry of a cube, that is, it

exhibits four threefold rotational axes oriented at 109.58 (the tetrahedral angle) with respect

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Introductory Concepts 25

a a a

a a a

a a a

Simple cubic Body-centered cubic Face-centered cubic

FIGURE 2.2

Bravais lattices that form the cubic crystal system.

to each other. These threefold axes lie along the body diagonals of the cube. The other six

systems, in order of decreasing symmetry, are hexagonal, tetragonal, rhombohedral (also

known as trigonal), orthorhombic, monoclinic, and triclinic. Some crystallographers con-

sider the hexagonal crystal system not to be its own crystal system, but instead a part of the

trigonal crystal system. The crystal system and the Bravais lattice of a crystal describe the

(purely) translational symmetry of the crystal. The three Bravais lattices that form the cubic

crystal system are shown in Figure 2.2.

The simple cubic system consists of one lattice point on each corner of the cube. Each atom

at the lattice points is then shared equally between eight adjacent cubes; the unit cell

therefore contains in total one atom (1=8) 8 ¼ 1. The body-centered cubic (BCC) system

has one lattice point in the center of the unit cell in addition to the eight corner points. It has AQ1

a contribution of two lattice points per unit cell ((1=8) 8 þ 1) ¼ 2. Finally, the face-centered

cubic (FCC; see Figures 2.2 and 2.3) has lattice points on the faces of the cube of which each AQ2

unit cube gets exactly one half contribution, in addition to the corner lattice points, giving a

total of four atoms per unit cell ((1=8 for each corner) 8 corners þ (1=2 for each face)

6 faces) ¼ 4. Attempting to create a C-centered cubic crystal system would result in a

simple tetragonal Bravais lattice. There are eight lattice points on a simple cubic for each

corner of the shape. There are nine lattice points for a BCC system because of the extra

point in the center of the unit. There are 14 lattice points on a FCC lattice.

When the crystal systems are combined with the various possible lattice sites, we arrive

at the Bravais lattices. They describe the geometric arrangement of the lattice points,

FIGURE 2.3

Interpenetrating face-centered cubic lattice that is a basic

building block of C, Si, Ge, and GaAs.

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26 Computational Electronics

and thereby the translational symmetry of the crystal. In 3D, there are 14 unique Bravais

lattices that are distinct from one another in the translational symmetry they contain.

All crystalline materials recognized until now (not including quasi-crystals) ﬁt in one of

these arrangements. The Bravais lattices are sometimes referred to as space lattices.

The crystal structure consists of the same group of atoms, the basis, positioned around

each and every lattice point. This group of atoms therefore repeats indeﬁnitely in 3D

according to the arrangement of one of the 14 Bravais lattices. The characteristic rotation

and mirror symmetries of the group of atoms, or unit cell, is described by its crystallo-

graphic point group.

The crystallographic point group or crystal class is the mathematical group comprising

the symmetry operations that leave at least one point unmoved and that leave the appear-

ance of the crystal structure unchanged. These symmetry operations can include reﬂection,

which reﬂects the structure across a reﬂection plane; rotation, which rotates the structure a

speciﬁed portion of a circle about a rotation axis; inversion, which changes the sign of the

coordinate of each point with respect to a center of symmetry or inversion point; and improper

rotation, which consists of a rotation about an axis followed by an inversion. Rotation axes

(proper and improper), reﬂection planes, and centers of symmetry are collectively called

symmetry elements. There are 32 possible crystal classes. Each one can be classiﬁed into one

of the seven crystal systems.

The space group of the crystal structure is composed of the translational symmetry

operations in addition to the operations of the point group. These include pure translations,

which move a point along a vector; screw axis, which rotate a point around an axis while

translating parallel to the axis; and glide planes, which reﬂect a point through a plane

while translating it parallel to the plane. There are 230 distinct space groups.

Twenty of the 32 crystal classes are so-called piezoelectric and crystals belonging to one

of these classes (point groups) display piezoelectricity. All 20 piezoelectric classes lack a

center of symmetry. Any material develops a dielectric polarization when an electric

ﬁeld is applied, but a substance that has such a natural charge separation even in the

absence of a ﬁeld is called a polar material. Whether or not a material is polar is determined

solely by its crystal structure. Only 10 of the 32 point groups are polar. All polar crystals

are pyroelectric, so the 10 polar crystal classes are sometimes referred to as the pyroelectric

classes.

Miller indices [3,5] are a notation system in crystallography for planes and directions in

crystal lattices. In particular, a family of lattice planes is determined by three integers, l, m,

and n, the Miller indices. They are written (lmn) and denote planes orthogonal to a direction

(l, m, n) in the basis of the reciprocal lattice vectors (Figure 2.4). By convention, negative

integers are written with a bar, as in 3 for 3. The integers are usually written in lowest

terms, i.e., their greatest common divisor should be 1. There are also several related

notations [lmn] (see Figure 2.5), with square instead of round brackets, which denote a

direction in the basis of the direct lattice vectors instead of the reciprocal lattice. The

notation {lmn} denotes all planes that are equivalent to (lmn) by the symmetry of the

crystal. Similarly, the notation hlmni denotes all directions that are equivalent to [lmn] by

symmetry.

There are two equivalent ways to deﬁne the Miller indices: via a point in the reciprocal

lattice or as the inverse intercepts along the lattice vectors. Both deﬁnitions are given

below. In either case, one needs to choose the three lattice vectors a1, a2, and a3 as described

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Introductory Concepts 27

FIGURE 2.4

(111) (111) (111)

Planes with different Miller indices in cubic crystals.

z [110]

y

[100]

0 x [110]

[010]

FIGURE 2.5

Examples of directions.

above. Given these, the three primitive reciprocal lattice vectors are also determined

(denoted as b1, b2, and b3). Then, given the three Miller indices l,m,n (lmn) denotes planes

orthogonal to lb1 þ mb2 þ nb3. That is, (lmn) simply indicates a normal to the planes in the

basis of the primitive reciprocal lattice vectors (Figure 2.6). Because the coordinates

are integers, this normal is itself always a reciprocal lattice vector. The requirement of

lowest terms means that it is the shortest reciprocal lattice vector in the given direction.

Plan (221)

z =1

Plan (111)

y = 1/2

z =1 O

x =1/2

y =1 FIGURE 2.6

Examples of determining indices for a plane

O x =1 using intercepts with axes; left (111), right (221).

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28 Computational Electronics

Equivalently, (lmn) denotes a plane that intercepts the three Plan (1122)

points a1=l, a2=m, and a3=n or some multiple thereof. That is,

the Miller indices are proportional to the inverses of the inter- [001]

cepts of the plane, in the basis of the lattice vectors. If one of

the indices is zero, it means that the planes do not intersect that

axis (the intercept is ‘‘at inﬁnity’’). The related notation [lmn] R =1/2

denotes the direction la1 þ ma2 þ na3. That is, it uses the direct

lattice basis instead of the reciprocal lattice. Note that [lmn] is not [010] S =–1/2

generally normal to the (lmn) planes, except in a cubic lattice as Q =1

[100]

described below. P =1

For the special case of simple cubic crystals, the lattice [110]

vectors are orthogonal and of equal length; similarly for the

reciprocal lattice. So, in this common case, the Miller indices FIGURE 2.7

Miller-Bravais index.

(lmn) and [lmn] both simply denote normal=directions in

Cartesian coordinates. For FCC and BCC lattices, the primitive

lattice vectors are not orthogonal. However, in these cases, the Miller indices are conven-

tionally deﬁned relative to the lattice vectors of the cubic Bravais lattice, and hence are

again simply the Cartesian directions.

With hexagonal (see Figure 2.7) and rhombohedral crystal systems, it is possible to

use the Bravais–Miller index, which has four numbers (h, k, i, l) where i ¼ h – k and h, k,

and l are identical to the Miller index. The (001) plane has a threefold symmetry, it remains

unchanged by a rotation of 1=3 (2p=3 rad, 1208). The [100], [010], and the [110] directions

are really similar. If S is the intercept of the plane with the [110] axis, then i ¼ 1=S and i is

redundant and not necessary.

The crystallographic directions are ﬁctitious lines linking nodes (atoms, ions, or mol-

ecules) of a crystal. The crystallographic planes are ﬁctitious planes linking nodes. Some

directions and planes have a higher density of nodes (see Figure 2.8); these dense planes

have an inﬂuence on the behavior of the crystal:

. Optical properties: in condensed matter, the light ‘‘jumps’’ from one atom to the

other with Rayleigh scattering; the velocity of light thus varies according to

the directions, whether the atoms are close or far; this gives rise to birefringence

. Adsorption and reactivity: the adsorption and the chemical reactions occur on

atoms or molecules, these phenomena are thus sensitive to the density of nodes

Face (100)

0)

e (21

Fac

0)

(11

ce

Fa

FIGURE 2.8

Dense crystallographic planes.

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Introductory Concepts 29

. Surface tension: the condensation of a material means that the atoms, ions, or

molecules are more stable if they are surrounded by other similar species; the

surface tension of an interface thus varies according to the density on the surface

. Pores and crystallites tend to have straight grain boundaries following dense

planes

. Cleavage

. Dislocations (plastic deformation)

. The dislocation core tends to spread on dense planes (the elastic perturbation is

‘‘diluted’’); this reduces the friction (Peierls–Nabarro force), the sliding occurs

more frequently on dense planes

. The perturbation carried by the dislocation (Burgers vector) is along a dense

direction: the shift of one node in a dense direction is a lesser distortion

. The dislocation line tends to follow a dense direction, the dislocation line is often

a straight line, a dislocation loop is often a polygon

For all these reasons, it is important to determine the planes and thus to have a notation

system.

In crystallography, the reciprocal lattice of a Bravais lattice is the set of all vectors K such

that eiKR ¼ 1 for all lattice vectors R. The reciprocal lattice is itself a Bravais lattice and the

reciprocal of the reciprocal lattice is the original lattice. For a 3D lattice, deﬁned by its

primitive vectors (a1, a2, a3), its reciprocal lattice can be determined by generating its three

reciprocal primitive vectors, through the formula

a2 a3

b1 ¼ 2p ,

a1 (a2 a3 )

a3 a1

b2 ¼ 2p , (2:1)

a2 (a3 a1 )

a1 a2

b3 ¼ 2p :

a3 (a1 a2 )

Using column vector representation of (reciprocal) primitive vectors, the formula above

can be rewritten using matrix inversion

formula dominates introductory materials on crystallography.

Each point (hkl) in the reciprocal lattice corresponds to a set of lattice planes (hkl) in

the real space lattice. The direction of the reciprocal lattice vector corresponds to the normal

to the real space planes, and the magnitude of the reciprocal lattice vector is equal to the

reciprocal of the interplanar spacing of the real space planes. The reciprocal lattice plays a

fundamental role in most analytic studies of periodic structures, particularly in the theory

of diffraction. For Bragg reﬂections in neutron and x-ray diffraction [6], the momentum

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30 Computational Electronics

difference between the incoming and diffracted x-rays of a crystal is a reciprocal lattice

vector. The diffraction pattern of a crystal can be used to determine the reciprocal vectors

of the lattice. Using this process, one can infer the atomic arrangement of a crystal.

The Brillouin zone [7] is a primitive unit cell of the reciprocal lattice. In mathematics

and solid-state physics, the ﬁrst Brillouin zone is a uniquely deﬁned primitive cell of

the reciprocal lattice in the frequency domain. It is found by the same method as for the

Wigner–Seitz cell in the Bravais lattice. The importance of the Brillouin zone stems from

(a) (b)

FIGURE 2.9

Construction of the ﬁrst Brillouin zone on (a) square and (b) hexagonal structure.

TABLE 2.1

Speciﬁcations of Critical Points

Symbol Description

G Center of the Brillouin zone

Simple cube

M Center of an edge

R Corner point

X Center of a face

Face-centered cubic

K Middle of an edge joining two hexagonal faces

L Center of a hexagonal face

U Middle of an edge joining a hexagonal and a square face

W Corner point

X Center of a square face

Body-centered cubic

H Corner point joining four edges

N Center of a face

P Corner point joining three edges

Hexagonal

A Center of a hexagonal face

H Corner point

K Middle of an edge joining two rectangular faces

L Middle of an edge joining a hexagonal and a

rectangular face

M Center of a rectangular face

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Introductory Concepts 31

the Bloch wave description of waves in a periodic medium, in which it is found that the

solutions can be completely characterized by their behavior in a single Brillouin zone.

Taking the surfaces at the same distance from one element of the lattice and its neighbors,

the volume included is the ﬁrst Brillouin zone shown in Figure 2.9. Another deﬁnition is

as the set of points in k-space that can be reached from the origin without crossing any

Bragg plane. There are also second, third, etc. Brillouin zones, corresponding to a sequence

of disjoint regions (all with the same volume) at increasing distances from the origin,

but these are used more rarely. As a result, the ﬁrst Brillouin zone is often called simply

the Brillouin zone. (In general, the nth Brillouin zone consists of the set of points that can be

reached from the origin by crossing n 1 Bragg planes.)

Several points of high symmetry are of special interest—these are called critical points.

These critical points are summarized in Table 2.1.

Reciprocal lattices for the cubic crystal system are as follows. We ﬁnd that the simple

cubic Bravais lattice, with a cubic primitive cell of side a, has for its reciprocal lattice a

simple cubic structure with a cubic primitive cell of side 2p=a (1=a in the crystallographer’s

deﬁnition). The cubic lattice is therefore said to be dual, having its reciprocal lattice being

identical (up to a numerical factor). The reciprocal lattice to an FCC lattice is the BCC

lattice. The reciprocal lattice to a BCC lattice is the FCC lattice. It can be easily proven that

only the Bravais lattices, which have 908 between (a1, a2, a3) (cubic, tetragonal, orthorhom-

bic) have (b1, b2, b3) parallel to their real-space vectors. The ﬁrst, second, and third Brillouin

zone of simple cubic, FCC, and BCC lattice are shown in Figure 2.10. In Figure 2.11,

we show the ﬁrst Brillouin zone for a BCC lattice along with the high symmetry points.

SC

FCC

BCC

FIGURE 2.10

First, second, and third Brillouin zones for simple cubic, FCC, and BCC lattices.

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32 Computational Electronics

X [001]

[111]

L

X

Γ [010]

U

X X [2nd BZ]

FIGURE 2.11 [100]

First Brillouin zone of FCC lattice that corresponds to the [110]

ﬁrst Brillouin zone for all diamond and zinc-blende materials

(C, Si, Ge, GaAs, InAs, CdTe, etc.). There are eight hexagonal

faces (normal to [111]) and six square faces (normal to [100]).

The sides of each hexagon and square are equal.

2.2 Semiconductors

A semiconductor is a solid that has electrical conductivity in between that of a conductor and

that of an insulator and can be controlled over a wide range, either permanently or

dynamically. Semiconductors are tremendously important in technology. Semiconductor

devices [8,9], electronic components made of semiconductor materials, are essential in

modern electrical devices. Examples range from computers to cellular phones to digital

audio players. Silicon is used to create most semiconductors commercially, but dozens of

other materials are used as well.

Semiconductors are very similar to insulators. The two categories of solids differ pri-

marily in that insulators have larger band gaps—energies that electrons must acquire to be

free to move from atom to atom. In semiconductors at room temperature, just as in

insulators, very few electrons gain enough thermal energy to surmount the band gap

from the valence band to the conduction band, which is necessary for electrons to be

available for electric current conduction. For this reason, pure semiconductors and insula-

tors in the absence of applied electric ﬁelds have a roughly similar resistance. The smaller

band gap of semiconductors, however, allows for other means besides temperature to

control their electrical properties.

The property of semiconductors that makes them most useful for constructing electronic

devices is that their conductivity may easily be modiﬁed by introducing impurities into

their crystal lattice. The process of adding controlled impurities to a semiconductor is

known as doping. The amount of impurity, or dopant, added to an intrinsic (pure) semi-

conductor varies its level of conductivity. Doped semiconductors are often referred to as

extrinsic (see Figure 2.12).

The materials chosen as suitable dopants depend on the atomic properties of both the

dopant and the material to be doped. In general, dopants that produce the desired

controlled changes are classiﬁed as either electron acceptors or donors. A donor atom

that activates (that is, becomes incorporated into the crystal lattice) donates weakly-bound

valence electrons to the material, creating excess negative charge carriers. These weakly-

bound electrons can move about in the crystal lattice relatively freely and can facilitate

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Introductory Concepts 33

(0, 12 , 12 )

Each silicon atom bonds

( )

1 1 to four nearest neighbors.

, 0,

2 2

electrons, one from each atom at

( 1 1

, ,0

2 2 ) the ends of the bond.

(0,0,0)

• The principle of doping involves REPLACING a small fraction of the silicon atoms

with atoms with a DIFFERENT number of valence electrons, giving an EXCESS

number of holes or electrons:

(0, 12 , 12 ) (0, 12 , 12 )

(12 , 0, 12 ) (12 , 0, 12 )

As

B

( 1 1

, ,0

2 2 ) (12 , 12 , 0)

(0,0,0) (0,0,0)

Arsenic has one more valence electron Boron has one less valence electron

than silicon and so when we replace a than silicon and so when we replace a silicon

silicon atom with an arsenic one we atom with an boron one we obtain an

obtain an extra electron that can vacant bond that can conduct electricity.

conduct electricity, as it can be freed This leaves a hole in the valence band,

from the atom easily. and since the bond moves relatively easily,

so does the hole.

FIGURE 2.12

Covalent bond (top panel), arsenic impurity (bottom left) and boron impurity (bottom right).

conduction in the presence of an electric ﬁeld. (The donor atoms introduce some states

under, but very close to, the conduction band edge. Electrons at these states can be easily

excited to a conduction band, becoming free electrons, at room temperature.) Conversely,

an activated acceptor produces a hole. Semiconductors doped with donor impurities are

called n-type, while those doped with acceptor impurities are known as p-type. The n- and

p-type designations indicate which charge carrier acts as the material’s majority carrier.

The opposite carrier is called the minority carrier, which exists due to thermal excitation at

a much lower concentration compared with the majority carrier.

For example, silicon has four valence electrons. In silicon, the most common dopants are

column or group III elements and column V elements. Group III elements all contain three

valence electrons, causing them to function as acceptors when used to dope silicon. Group

V elements have ﬁve valence electrons, which allows them to act as a donor. Therefore, a

silicon crystal doped with boron creates a p-type semiconductor whereas one doped with

phosphorus results in an n-type material.

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34 Computational Electronics

its concentration and indirectly affects many of its electrical properties. The most important

factor is that doping directly affects the material’s carrier concentration. In an intrinsic

semiconductor under thermal equilibrium, the concentration of electrons and holes

is equivalent. That is, n ¼ p ¼ ni where n is the concentration of conducting electrons, p is

the electron hole concentration, and ni is the material’s intrinsic carrier concentration.

Intrinsic carrier concentration varies between materials and is dependent on temperature.

ni in silicon, for example, is roughly 1 1010 cm3 at 300 K (room temperature). In general,

an increase in doping concentration affords an increase in conductivity due to the higher

concentration of carriers available for conduction. Degenerately (very highly) doped semi-

conductors have conductivity levels comparable with metals and are often used in modern

integrated circuits as a replacement for metal. Often the superscript plus and minus

are used to denote relative doping concentrations in semiconductors. For example, nþ

denotes an n-type semiconductor with a high, often degenerate, doping concentration.

Similarly, p would indicate a very lightly doped p-type material. It is useful to note that

even degenerate levels of doping imply low concentrations of impurities with respect

to the base semiconductor. In crystalline intrinsic silicon, there are approximately

5 1022 atoms=cm3. The doping concentration for silicon semiconductors may range

anywhere from 1013 cm3 to 1020 cm3. Doping concentrations above about 1018 cm3

are considered degenerate at room temperature (see Figure 2.13). Degenerately doped

silicon contains a proportion of impurity to silicon on the order of parts per thousand.

This proportion may be reduced to parts per billion in very lightly doped silicon. Typical

concentration values fall somewhere in this range and are tailored to produce the desired

properties in the device that the semiconductor is intended for. Boron, arsenic, phosphorus,

and antimony, among other substances, are commonly used dopants in the semiconductor

industry.

Doping a semiconductor crystal introduces allowed energy states within the band gap

but very close to the energy band that corresponds with the dopant type. In other words,

donor impurities create states near the conduction band while acceptors create states

near the valence band. The gap between these energy states and the nearest energy band

is usually referred to as dopant-site bonding energy or EB and is relatively small. For

example, EB for boron in silicon bulk is 0.045 eV, compared with silicon’s band gap of

about 1.12 eV. Because EB is so small, it takes little energy to ionize the dopant atoms

and create free carriers in the conduction or valence bands. Usually the thermal energy

available at room temperature is sufﬁcient to ionize most of the dopant.

Dopants also have the important effect of shifting the material’s Fermi level towards

the energy band that corresponds with the dopant with the greatest concentration.

Since the Fermi level must remain constant in a system in thermodynamic equilibrium,

Density of states

CB

FIGURE 2.13 VB VB CB

Schematic description of band gap 0

EF E

narrowing due to heavy doping

with donor impurities. For heavy doping the impurity band overlaps with the VB or CB

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Introductory Concepts 35

stacking layers of materials with different properties leads to many useful electrical

properties. For example, the p-n junction properties are due to the energy band bending

that happens as a result of lining up the Fermi levels in contacting regions of p-type and

n-type material. This effect is shown in a band diagram. The band diagram typically

indicates the variation in the valence band and conduction band edges versus some spatial

dimension, often denoted as x. The Fermi energy is also usually indicated in the diagram.

Sometimes the intrinsic Fermi energy, Ei, which is the Fermi level in the absence of doping,

is shown. These diagrams are useful for explaining the operation of many kinds of

semiconductor devices. Junctions between regions of n- and p-type semiconductors create

electric ﬁelds, which cause electrons and holes to be available to move away from them,

and this effect is critical to semiconductor device operation. Also, a density difference in the

amount of impurities produces a small electric ﬁeld in the region, which is used to

accelerate nonequilibrium electrons or holes.

In addition to permanent modiﬁcation through doping, the resistance of semiconductors

is normally modiﬁed dynamically by applying electric ﬁelds. The ability to control

resistance=conductivity in regions of semiconductor material externally through the appli-

cation of electric ﬁelds is the feature that makes semiconductors useful. It has led to the

development of a broad range of semiconductor devices, like transistors and diodes.

Semiconductor devices that have dynamically controllable conductivity, such as tran-

sistors, are the building blocks of integrated circuit devices like the microprocessor.

These ‘‘active’’ semiconductor devices (transistors) are combined with passive components

implemented from semiconductor material, such as capacitors and resistors, to produce

complete electronic circuits (see Figure 2.14).

In most semiconductors, when electrons lose enough energy to fall from the conduction

band to the valence band (the energy levels above and below the band gap), they often

emit light, a quantum of energy in the visible electromagnetic spectrum. This photoemis-

sion process underlies the light-emitting diode (LED) and the semiconductor laser, both of

which are very important commercially. Conversely, the semiconductor absorption of

light in photodetectors excites electrons to move from the valence band to the higher

energy conduction band, thus facilitating the detection of light and varying with its

intensity. This is useful for ﬁber optic communications and for providing the basis for

energy from solar cells.

FIGURE 2.14

PCs (left) and a magniﬁed view of a Pentium IV processor.

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36 Computational Electronics

semiconductors, such as gallium arsenide (GaAs) and indium phosphide; or alloys, such

as silicon germanium or aluminum gallium arsenide.

There are two popular ways to describe the electronic structure of a crystal. The ﬁrst starts

from single atoms. An atom has discrete energy levels. When two atoms come close to each

other, the energy levels split into an upper and a lower level (bonding and antibonding

states in covalent bond theory), whereby they delocalize across the two atoms. With more

atoms, the number of levels increases and the groups of levels form bands. Semiconductors

contain many bands. If there is a large distance between the highest occupied state and

the lowest unoccupied state, then a gap will likely remain between occupied and unoccu-

pied bands even after band formation.

A second approach starts with free electrons waves. Upon the introduction of the

electrostatic potential associated with the atomic cores, the waves undergo Bragg reﬂection

and cannot penetrate the bulk, which opens the band gap in the free electron energy

momentum (dispersion) relations.

In Figure 2.15, we show the results of the simulations in which the piece-wise-constant

potential barrier tool model on the NCN Nanohub (www.nanoHUB.org) has been used.

In this example, the ‘‘crystal’’ is a set of quantum wells with a ﬁnite height that holds a certain

number of discrete energy levels. One can clearly see that when N such identical wells are

brought together, they interact among each other through the overlap of the bound states and

in well, and the degeneracy of the levels in the well is lifted, thus forming energy bands. On the

bottom panel of Figure 2.15, we also show the formation of the cosine-like bands and the

associated energy gaps for the case of 40 wells. One can also observe that as these are quasi-

bound states [10], the transmission coefﬁcient equals unity at resonance. This fact is shown in

the plot of the total transmission coefﬁcient that is shown in the middle panel of Figure 2.15.

The actual calculated band structure for the Si diamond lattice is shown in Figure 2.16,

which is more complicated due to the 3D nature of the problem. Shown are the energy

versus crystal momentum along certain high symmetry directions in the ﬁrst Brillouin zone

of the Si reciprocal lattice.

Like in other solids, the electrons in semiconductors can have energies only within

certain bands (i.e., ranges of levels of energy) between the energy of the ground state,

corresponding to electrons tightly bound to the atomic nuclei of the material, and the free

electron energy, which is the energy required for an electron to escape entirely from the

material. The energy bands each correspond to a large number of discrete quantum states

of the electrons, and most of the states with low energy (closer to the nucleus) are full, up to

the top of a particular band called the valence band. Semiconductors and insulators are

distinguished from metals because the valence band in semiconductor materials is very

nearly full under the usual operating conditions, with relatively few electrons in the

conduction band associated with thermal excitation across the gap for intrinsic materials.

The ease with which electrons in a semiconductor can be excited from the valence band

to the conduction band depends on the band gap between the bands, and it is the size of

this energy band gap that serves as an arbitrary dividing line (roughly 4 eV) between

semiconductors and insulators, as shown in Figure 2.17.

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Introductory Concepts 37

FIGURE 2.15

Formation of bands on the example of multiple quantum wells interacting with each other. Top (left) panel:

Distribution of energy states for 40 quantum interacting wells. Top (right) panel: Transmission coefﬁcient through

the structure. Notice perfect transmission at resonances. Bottom panel: Formation of energy bands with cosine like

dispersion relation. These results are obtained with the piece-wise constant potential barrier tool (PCPBT available

on the NanoHUB, www.nanohub.org).

Γ15

E0

Γ΄25 X1

0 EV

E (eV)

S1

–10

Γ1

FIGURE 2.16

L Л Γ Δ X U, K Σ Γ More complex representation of band structure in

k silicon showing wavevector dependence.

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38 Computational Electronics

Overlap

Conduction

band

Electron energy

Fermi level Bandgap

Band structure of a semiconductor band

showing the nearly full valence band

and the nearly empty conduction band. Metal Semiconductor Insulator

A more complete view of the band structure takes into account the periodic nature of a

crystal lattice. The Schrödinger equation is solved for the periodic potential associated with

the crystal lattice [11,12], which is in the form of Bloch waves

where

k is called the wavevector and is related to the direction of motion of the electron in the

crystal

n is the band index

unk(r) has the periodicity of the real space lattice

The wavevector k takes on values within the ﬁrst Brillouin zone (BZ) corresponding to the

crystal lattice, and particular high symmetry directions=points in the BZ are assigned

conventional names like G, D, L, S, etc. The available energies for the electron also depend

upon k, as shown for silicon in Figure 2.16. In this diagram, the topmost energy of the

valence band is labeled Ev and the bottom energy in the conduction band is labeled Ec.

The top of the valence band is not directly below the bottom of the conduction band (one is

at G, the other at X), so silicon is called an indirect gap material. In other semiconductors

(for example, GaAs), both are at G and these materials are called direct gap materials.

Although electronic band structures are usually associated with crystalline materials,

quasi-crystalline and amorphous solids may also exhibit band structures. However, the

periodic nature and symmetrical properties of crystalline materials makes it much easier to

examine the band structures of these materials theoretically. In addition, the well-deﬁned

symmetry axes of crystalline materials makes it possible to determine the dispersion

relationship between the momentum (a 3D vector quantity) and energy of a material. As

a result, virtually all of the existing theoretical work on the electronic band structure of

solids has focused on crystalline materials. Examples of the band structures of the most

commonly used semiconductors are shown in Figure 2.18, calculated using the band

structure lab that resides on NanoHub (www.nanohub.org).

The energy versus crystal moment, k, is referred to as the dispersion relation between the

energy and momentum of electrons in reciprocal space and is related to the actual momen-

tum of electrons in the crystal. For crystalline structures, the dispersion relation of the

electrons is periodic, and the Brillouin zone is the smallest repeating space within this

periodic structure (see Figure 2.11). For an inﬁnitely large crystal, if the dispersion relation

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Introductory Concepts 39

FIGURE 2.18

Band structure for Si (top left), Ge (top right), GaAs (bottom left), and InAs (bottom right). These ﬁgures were

generated with the tool called Bandstructure Lab that can be found at www.nanohub.org.

for an electron is deﬁned throughout the Brillouin zone, then it is deﬁned throughout the

entire reciprocal space. This Ansatz is a special case of electron waves in a periodic crystal

lattice using Bloch waves as treated generally in the dynamical theory of diffraction. Every

crystal is a periodic structure that can be characterized by a Bravais lattice, and for each

Bravais lattice we can determine the reciprocal lattice, which encapsulates the periodicity in

a set of three reciprocal lattice vectors (b1, b2, b3). Now, any periodic potential, V(r), which

shares the same periodicity as the direct lattice, can be expanded out as a Fourier series

whose only nonvanishing components are those associated with the reciprocal lattice

vectors. So the expansion can be written as

X

V(r) ¼ VK eiKr , (2:4)

K

where K ¼ m1b1 þ m2b2 þ m3b3 for any set of integers (m1, m2, m3). From this theory, an

attempt can be made to predict the band structure of a particular material.

The nearly free electron approximation in solid-state physics is similar in some

respects to the hydrogen-like atom of quantum mechanics in that interactions between

electrons are completely ignored. This allows the use of Bloch’s theorem, which states

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40 Computational Electronics

that electrons in a periodic potential have wavefunctions and energies that are periodic in

wavevector up to a constant phase shift between neighboring reciprocal lattice vectors.

The consequences of periodicity are described mathematically by the Bloch wave-

function cnk(r) ¼ eikrunk(r), where unk(r) is periodic over the crystal lattice, that is,

unk(r) ¼ unk(r R). Here index n refers to the nth energy band, wavevector k is related to

the direction of motion of the electron, r is the position in the crystal, and R is the location

of an atomic site. (For more details on the semiempirical energy band structure calculation,

see Appendix A).

The opposite extreme to the nearly free electron approximation assumes the electrons in

the crystal behave much like an assembly of constituent atoms. This tight-binding model

assumes the solution to the time-independent single electron Schrödinger equation is

well approximated by a linear combination of atomic orbitals cn (r). Namely

X

C(r) ¼ bn,R cn (r R), (2:5)

n,R

where the coefﬁcients bn,R are selected to give the best approximate solution of this form.

Index n refers to an atomic energy level and R refers to an atomic site. A more accurate

approach using this idea employs Wannier functions, deﬁned by

ð

Vc

an (r R) ¼ dkeik(Rr) unk , (2:6)

(2p)3

BZ

in which unk is the periodic part of the Bloch wave and the integral is over the Brillouin

zone. Here, index n refers to the nth energy band in the crystal. The Wannier functions

are localized near atomic sites, like atomic orbitals, but being deﬁned in terms of

Bloch functions they are accurately related to solutions based upon the crystal potential.

Wannier functions on different atomic sites R are orthogonal. The Wannier functions can

be used to form the Schrödinger solution for the nth energy band as

X

cnk (r) ¼ eik(Rr) an (r R): (2:7)

R

A detailed description of the semiempirical methods for the electronic structure calculation

is given in Appendix A.

Semiconductors with predictable, reliable electronic properties are necessary for mass

production. The level of chemical purity needed is extremely high because the presence

of impurities even in very small proportions can have large effects on the properties of

the material (Table 2.2). A high degree of crystalline perfection is also required, since AQ3

faults in crystal structure (such as dislocations, twins, and stacking faults) interfere

with the semiconducting properties of the material. Crystalline faults are a major cause

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Introductory Concepts 41

TABLE 2.2

Material Properties of Germanium, Silicon, and Gallium Arsenide

Gallium

Name Symbol Germanium Silicon Arsenide

Band minimum at k ¼ 0

Minimum energy Eg,direct (eV) 0.8 3.2 1.424

Effective mass m*e =m0 0.041 ?0.2? 0.067 AQ4

Band minimum not at k ¼ 0

Minimum energy Eg,indirect (eV) 0.66 1.12 1.734

Longitudinal effective mass m*e,l=m0 1.64 0.98 1.98

Transverse effective mass * =m0

me,t 0.082 0.19 0.37

Longitudinal direction (111) (100) (111)

Heavy hole valence band maximum at E ¼ k ¼ 0

Effective mass * =m0

mhh 0.28 0.49 0.45

Light hole valence band maximum at k ¼ 0

Effective mass mlh* =m0 0.044 0.16 0.082

Split-off hole valence band maximum at k ¼ 0

Split-off band valence band energy Ev,so (eV) 0.028 0.044 0.34

Effective mass mh:so* =m0 0.084 0.29 0.154

m0 ¼ 9.11 1031 kg is the free electron rest mass.

of defective semiconductor devices. The larger the crystal, the more difﬁcult it is to

achieve the necessary perfection. Current mass production processes use crystal ingots

between 4 and 12 in. (300 mm) in diameter, which are grown as cylinders and sliced

into wafers.

Because of the required level of chemical purity and the perfection of the crystal

structure, which are needed to make semiconductor devices, special methods have been

developed to produce the initial semiconductor material. A technique for achieving high

purity includes growing the crystal using the Czochralski process. An additional step that

can be used to further increase purity is known as zone reﬁning. In zone reﬁning, part of

a solid crystal is melted. The impurities tend to concentrate in the melted region, while

the desired material recrystallizes leaving the solid material more pure and with fewer

crystalline faults. In manufacturing semiconductor devices involving heterojunctions

between different semiconductor materials, the lattice constant, which is the length of

the repeating element of the crystal structure, is important for determining the compati-

bility of materials.

Semiconductor materials are insulators at a temperature of absolute zero that conduct

electricity in a limited way at room temperature. The deﬁning property of a semiconductor

material is that it can be doped with impurities that alter its electronic properties in a

controllable way. Because of their application in devices like transistors (and therefore

computers) and lasers, the search for new semiconductor materials and the improvement

of existing materials is an important ﬁeld of study in materials science. The most com-

monly used semiconductor materials are crystalline inorganic solids. These materials

can be classiﬁed according to the periodic table groups from which their constituent

atoms come. The group III nitrides have high tolerance to ionizing radiation, making

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42 Computational Electronics

materials used in different device type fabrications is given in following table.

List of semiconductor materials

. Diamond (C)

. Silicon (Si)

. Germanium (Ge)

. Group IV compound semiconductors

. Silicon carbide (SiC)

. Silicon germanide (SiGe)

. Group III–V semiconductors

. Aluminum antimonide (AlSb)

. Aluminum arsenide (AlAs)

. Aluminum nitride (AlN)

. Aluminum phosphide (AlP)

. Boron nitride (BN)

. Boron phosphide (BP)

. Boron arsenide (BAs)

. Gallium antimonide (GaSb)

. Gallium arsenide (GaAs)

. Gallium nitride (GaN)

. Gallium phosphide (GaP)

. Indium antimonide (InSb)

. Indium arsenide (InAs)

. Indium nitride (InN)

. Indium phosphide (InP)

. Group III–V ternary semiconductor alloys

. Aluminum gallium arsenide (AlGaAs, AlxGa1xAs)

. Indium gallium arsenide (InGaAs, InxGa1xAs)

. Indium gallium phosphide (InGaP)

. Aluminum indium arsenide (AlInAs)

. Aluminum indium antimonide (AlInSb)

. Gallium arsenide nitride (GaAsN)

. Gallium arsenide phosphide (GaAsP)

. Aluminum gallium nitride (AlGaN)

. Aluminum gallium phosphide (AlGaP)

. Indium gallium nitride (InGaN)

. Indium arsenide antimonide (InAsSb)

. Indium gallium antimonide (InGaSb)

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Introductory Concepts 43

. Aluminum gallium indium phosphide (AlGaInP, also InAlGaP, InGaAlP, AlInGaP)

. Aluminum gallium arsenide phosphide (AlGaAsP)

. Indium gallium arsenide phosphide (InGaAsP)

. Aluminum indium arsenide phosphide (AlInAsP)

. Aluminum gallium arsenide nitride (AlGaAsN)

. Indium gallium arsenide nitride (InGaAsN)

. Indium aluminum arsenide nitride (InAlAsN)

. Group III–V quinary semiconductor alloys

. Gallium indium nitride arsenide antimonide (GaInNAsSb)

. Group II–VI semiconductors

. Cadmium selenide (CdSe)

. Cadmium sulﬁde (CdS)

. Cadmium telluride (CdTe)

. Zinc oxide (ZnO)

. Zinc selenide (ZnSe)

. Zinc sulﬁde (ZnS)

. Zinc telluride (ZnTe)

. Group II–VI ternary alloy semiconductors

. Cadmium zinc telluride (CdZnTe, CZT)

. Mercury cadmium telluride (HgCdTe)

. Mercury zinc telluride (HgZnTe)

. Mercury zinc selenide (HgZnSe)

. Group I–VII semiconductors

. Cuprous chloride (CuCl)

. Group IV–VI semiconductors

. Lead selenide (PbSe)

. Lead sulﬁde (PbS)

. Lead telluride (PbTe)

. Tin sulﬁde (SnS)

. Tin telluride (SnTe)

. Group IV–VI ternary semiconductors

. lead tin telluride (PbSnTe)

. Thallium tin telluride (Tl2SnTe5)

. Thallium germanium telluride (Tl2GeTe5)

. Group V–VI semiconductors

. Bismuth telluride (Bi2Te3)

. Group II–V semiconductors

. Cadmium phosphide (Cd3P2)

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44 Computational Electronics

. Cadmium antimonide (Cd3Sb2)

. Zinc phosphide (Zn3P2)

. Zinc arsenide (Zn3As2)

. Zinc antimonide (Zn3Sb2)

. Layered semiconductors

. Lead(II) iodide (PbI2)

. Molybdenum disulﬁde (MoS2)

. Gallium Selenide (GaSe)

. Tin sulﬁde (SnS)

. Bismuth Sulﬁde (Bi2S3)

. Others

. Copper indium gallium selenide (CIGS)

. Platinum silicide (PtSi)

. Bismuth(III) iodide (BiI3)

. Mercury(II) iodide (HgI2)

. Thallium(I) bromide (TlBr)

. Miscellaneous oxides

. Titanium dioxide: anatase (TiO2)

. Copper(I) oxide (Cu2O)

. Copper(II) oxide (CuO)

. Uranium dioxide (UO2)

. Uranium trioxide (UO3)

. Organic semiconductors

. Magnetic semiconductors

By far, silicon (Si) is the most widely used material in semiconductor devices. Its combin-

ation of low raw material cost, relatively simple processing, and a useful temperature

range make it currently the best compromise among the various competing materials.

Silicon used in semiconductor device manufacturing is currently fabricated into rods

that are large enough in diameter to allow the production of 300 mm (12 in.) wafers.

Germanium (Ge) was a widely used early semiconductor material but its thermal sensi-

tivity makes it less useful than silicon. Today, germanium is often alloyed with silicon

for use in very-high-speed SiGe devices; IBM is a major producer of such devices. GaAs is

also widely used in high-speed devices, but so far, it has been difﬁcult to form large-

diameter boules of this material, limiting the wafer diameter to sizes signiﬁcantly smaller

than silicon wafers, thus making mass production of GaAs devices signiﬁcantly more

expensive than silicon. Other less common materials are also in use or under investigation.

Silicon carbide (SiC) has found some application as the raw material for blue LEDs and

is being investigated for use in semiconductor devices that could withstand very

high operating temperatures and environments with the presence of signiﬁcant levels of

ionizing radiation. IMPATT diodes have also been fabricated from SiC. Various indium

compounds (indium arsenide, indium antimonide, and indium phosphide) are also being

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Introductory Concepts 45

used in LEDs and solid-state laser diodes. Selenium sulﬁde is being studied in the

manufacture of photovoltaic solar cells.

Wide band gap semiconductors are semiconductor materials with electronic band gaps

larger than two to three electron volts (eV) (the exact threshold ‘‘wideness’’ often depends

on the application though). They have many applications in optoelectronic and power

devices, especially where high-temperature operation is important. Gallium nitride (GaN)

is used to make blue LEDs and lasers, for example. In the future, high brightness, long-life

white LEDs may replace incandescent bulbs in many situations. The next generation of

DVD players (the Blu-ray and HD DVD formats) uses GaN based lasers. Aluminum

nitride can be used to fabricate ultraviolet LEDs with wavelengths down to 200–250 nm.

Due to its cost, it is so far used mostly in military applications. Devices for high power and

high temperature applications have been developed. Both gallium nitride and silicon

carbide are robust materials well suited for such applications. Cubic boron nitride is

used as well. Most of these are for specialist applications in space programs and military

systems. However, they have not begun to displace silicon from its leading place in the

general power semiconductor market.

In solid-state physics, a particle’s effective mass is a concept related to the semiclassical model

of transport in a crystal where it represents the mass with which electrons respond to

external forces like an electric ﬁeld. It can be shown that, under most conditions, electrons

and holes in a crystal respond to electric and magnetic ﬁelds almost as if they were

free particles in a vacuum, but with a different mass. This mass is usually stated in units

of the ordinary mass of an electron me (9.11 1031 kg).

When an electron is moving inside the material, the force between other atoms will affect

its movement and it will not be described directly by Newton’s law. So we introduce

the concept of effective mass to describe the movement of electrons in Newton’s law.

The effective mass can be less than or greater than the free electron mass or negative in the

case of holes. The effective mass is deﬁned by an analogy with Newton’s second law

F ¼ ma. Using quantum mechanics, it can be shown that for an electron in an external

electric ﬁeld E

1 d2 E

a¼ qE, (2:8)

h 2 dk2

where

a is the acceleration

h is the reduced Planck’s constant

k is the wave number (often loosely called momentum since k ¼ p=h for free electrons)

e(k) is the energy as a function of k or the dispersion relation as it is often called

From the external electric ﬁeld alone, the electron would experience a force of F ¼ qE,

where q is the charge. Hence, under the model in which only the external electric ﬁeld acts,

effective mass m* becomes

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46 Computational Electronics

1

d2 E(k)

m* ¼ h 2 : (2:9)

dk2

For a free particle, the dispersion relation is a quadratic, and so the effective mass would

be constant (and equal to the real mass). In a crystal, the situation is far more complex.

The dispersion relation is not even approximately quadratic, over the whole BZ. However,

wherever a minimum occurs in the dispersion relation, the minimum can be approximated

by a quadratic curve in the small region around that minimum. Hence, for electrons that

have energy close to a minimum, effective mass is a useful concept. In energy regions far

away from a minimum, effective mass can be negative or even approach inﬁnity. Effective

mass, being generally dependent on direction (with respect to the crystal axes), is a tensor.

However, for most calculations the various directions can be averaged out.

Many semiconductors can be described as having a one band minimum at k ¼ 0 as well

as several equivalent anisotropic band minima at k 6¼ 0. In addition, there are three band

maxima of interest that are close to the valence band edge. As an example, we consider the

band structure of silicon as shown in the ﬁgure below.

The E-k diagram for Si within the ﬁrst Brillouin zone and along the (100) direction

is shown in Figure 2.19. The energy is chosen to be to zero at the edge of the valence

band. The lowest band minimum at k ¼ 0 and still above the valence band edge occurs at

Ec,direct ¼ 3.2 eV. This is not the lowest minimum above the valence band edge since there

are also six equivalent minima at k ¼ (x, 0, 0), (x, 0, 0), (0, x, 0), (0, x, 0), (0, 0, x), and

(0, 0, x) with x ¼ 5 nm1 (see Figure 2.20). The minimum energy of all these minima

equals 1.12 eV ¼ Ec,indirect. The effective mass of these anisotropic minima is characterized

by a longitudinal mass along the corresponding equivalent (100) direction and two trans-

verse masses in the plane perpendicular to the longitudinal direction. In silicon, the

longitudinal electron mass is me:l ¼ 0.98m0 and the transverse electron masses are

* ¼ 0.19m0, where m0 ¼ 9.11 1031 kg is the free electron rest mass.

me:t

Two of the three hole band maxima (a hole is essentially a missing electron in the valence

band) occur at 0 eV (see Figure 2.19). These bands are referred to as the light and heavy

hole bands with a light hole mass of mlh* ¼ 0.16m0 and a heavy hole mass of mhh * ¼ 0.46m0.

In addition, there is a split-off hole band with its maximum at Ev,so ¼ 0.044 eV and a split-

off hole mass of m*v,so ¼ 0.29m0. The constant energy surfaces of the heavy-hole, light-hole,

and split-off bands are shown in Figure 2.21.

The values of the energy band minima and maxima as well as the effective masses for

germanium, silicon, and GaAs are listed in Table 2.3. AQ5

The effective mass for density of states calculations equals the mass that provides the

density of states using the expression for one isotropic maximum or minimum or

3

Energy (eV)

–1

FIGURE 2.19 –2

E-k diagram within the ﬁrst Brillouin zone along the –6 –4 –2 0 2 4 6

(100) direction. Wave number (1/nm)

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Introductory Concepts 47

111

111

001 111

010

100

001 111

111 111

111

X valleys of Si L valleys of Ge

FIGURE 2.20

Constant energy surfaces of the conduction band of Si and Ge. Note that in the case of Ge we have four conduction

band minima (since the band minima occurs on the edge of the BZ1), in the case of Si we have six conduction band

equivalent valleys. In the case of GaAs (not shown in this ﬁgure) we have only one constant energy surface at the

center of the Brillouin zone.

1

0.9

0.8

0.7

KY (m–1)

KY (m–1)

KY (m–1)

0.6

0.5

0 0 0 0.4

0.3

0.2

0.1

0

0 6E+09 0 3E+09 0 2E+09

KX (m–1) KX (m–1) KX (m–1)

FIGURE 2.21

Three-dimensional equi-energy surfaces of heavy hole, light hole, and split off band in Si for kz ¼ 0.

TABLE 2.3

Effective Mass and Energy Band Gap of Ge, Si, and GaAs

Gallium

Name Symbol Germanium Silicon Arsenide

Smallest energy band gap at 300 K Eg (eV) 0.66 1.12 1.424

Effective mass for density of states calculations

Electrons m*e:dos=m0 0.56 1.08 0.067

Holes * =m0

mh:dos 0.29 0.57=0.81a 0.47 AQ6

Effective mass for conductivity calculations

Electrons * =m0

me:cond 0.12 0.26 0.067

Holes * =m0

mh:cond 0.21 0.36=0.386a 0.34

m0 ¼ 9.11 1031 kg is the free electron rest mass.

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48 Computational Electronics

pﬃﬃﬃ

8p 2 *3=2 pﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃ

gc (E) ¼ me E EC for E Ec (2:10a)

h3

pﬃﬃﬃ

8p 2 *3=2 pﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃ

gV (E) ¼ mh EV E for E EV (2:10b)

h3

For instance, for a single band minimum described by a longitudinal mass and two

transverse masses, the effective mass for density of states calculations is the geometric

mean of the three masses. Including the fact that there are several equivalent minima at the

same energy, one obtains the effective mass for density of states calculations from

2=3

* ¼ MC (ml ml mt )1=3 ,

me,dos (2:11)

where Mc is the number of equivalent band minima. For silicon, one obtains

me,dos (2:12)

The effective mass for conductivity calculation is the mass that is used in conduction

related problems accounting for the detailed structure of the semiconductor. These calcu-

lations include mobility and diffusion constant calculations. Another example is the

calculation of the shallow impurity levels using a hydrogen-like model. As the conductiv-

ity of a material is inversely proportional to the effective masses, one ﬁnds that the

conductivity due to multiple band maxima or minima is proportional to the sum of the

inverse of the individual masses, multiplied by the density of carriers in each band, as each

maximum or minimum adds to the overall conductivity. For anisotropic minima contain-

ing one longitudinal and two transverse effective masses, one has to sum over the effective

masses in the different minima along the equivalent directions. The resulting effective mass

for bands, which have ellipsoidal constant energy surfaces, is given by

3

me,cond

* ¼ , (2:13)

(1=ml ) þ (1=ml ) þ (1=mt )

provided the material has an isotropic conductivity as is the case for cubic materials. For

instance, electrons in the X minima of silicon have an effective conductivity mass given by

me,cond

* ¼ 3 (1=ml ) þ (1=mt ) þ (1=mt )1

¼ 3 (1=0:89) þ (1=0:19) þ (1=0:19)1 m0

¼ 0:26m0 : (2:14)

When the electric ﬁeld applied to the semiconductor is small, the kinetic energy of carriers

is small, i.e., carriers occupy states near the band edges. In this region, the curvature of the

bands is parabolic and the energy-wavevector relationship is of the form

h 2 k2 h 2 2

EK ¼ ¼ kx þ ky2 þ kz2 , (2:15)

2m* 2m*

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Introductory Concepts 49

where

Ek is the kinetic energy

m* is the effective mass at the band edge

kx , ky , and kz are the wavevector components along the x-, y-, and z-axis, respectively

When the applied electric ﬁelds are large, as is always the case in normal device operation,

carriers can have very high kinetic energy, i.e., occupy states that are high in energy

relative to the conduction band minima. In this region, the E-k relationship may differ

from a parabolic band structure and the nonparabolic energy band structure described by

h 2 k2

Ek (1 þ aEk ) ¼ ¼ g(k) (2:16)

2m*

gives a more appropriate description of the actual band structure. In Equation 2.16, the

nonparabolicity factor a is deﬁned as

1 mc

a¼ 1 , (2:17)

Eg m0

where

Eg is the energy difference between the conduction band and the valence band at the

G point

m0 is the electron rest mass

mc is the conductivity mass

Having deﬁned the E-k relationship, we can calculate the carrier group velocity using

1

v ¼ rk E k , (2:18)

h

where rk is a delta operator with respect to k. Substituting Equation 2.3a into Equation 2.5

leads to the following expression

h k

v¼ (2:19)

m*

for the carrier velocity for parabolic band structure. For nonparabolic bands, the velocity

wavevector relation is of the form

h k 1

v¼ pﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃ : (2:20)

m* 1 þ 4ag(k)

which microwave absorption of a semiconductor immersed in a magnetic ﬁeld goes through

a sharp peak when the microwave frequency equals the cyclotron frequency vc ¼ eB=m*.

In recent years, effective masses have more commonly been determined through the meas-

urement of band structures using techniques such as angle-resolved photoemission (ARPES)

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50 Computational Electronics

or, most directly, the de Haas-van Alphen effect. Effective masses can also be estimated

using the coefﬁcient g of the linear term in the low-temperature electronic speciﬁc heat at a

constant volume of cv. The speciﬁc heat depends on the effective mass through the density of

states at the Fermi level and as such is a measure of degeneracy as well as band curvature.

Since carrier mobility depends on the ratio of carrier collision lifetime t to effective mass,

masses can in principle be determined from transport measurements, but this method is not

practical since carrier collision probabilities are typically not known a priori. Groups III–V

compounds based on GaAs and InSb have far smaller effective masses than tetrahedral

group IV materials like Si and Ge. In the simplest Drude picture of electronic transport, the

maximum obtainable charge carrier velocity is inversely proportional to the effective mass

v ¼ mE, where the mobility is given by m ¼ et=m* with e being the electronic charge.

The ultimate speed of integrated circuits depends on the carrier velocity, so the low effective

mass is the fundamental reason that GaAs and its derivatives are used instead of Si in high-

bandwidth applications like cellular telephony.

In the rest of this section, we describe the key steps in determining the effective masses

for a general conduction band ellipsoid as illustrated in Figure 2.22. In the ellipse coord-

inate system (ECS), the constant energy ellipsoid can be expressed as

(k̂3) Device

Z

Y Source Top gate Drain

(k̂2)

Channel

Bottom gate

X

(k̂1)

(k̂΄3) (001)

(100) (111)

(k̂΄1)

a

Crystal ( )

k̂΄2

(110)

(010)

Ellipsoid

k 2

k 1

k1

FIGURE 2.22

Schematic description of the three orthogonal coordinate

systems: device coordinate system (DCS), crystal coord-

inate system (CCS), and ellipse coordinate system (ECS).

(From Lundstrom and co-workers.) AQ7

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Introductory Concepts 51

h 2 kk2

h 2 k?1 þ k?2

2

E¼ þ : (2:21)

2ml 2mt

In Equation 2.21, the k-space origin is translated to the conduction-band minima, which

serves as the reference for the electronic energy. In compact vector notation, Equation 2.21

can be written as

h 2 T 1

E¼ k M kE , (2:22)

2 E E

T

where kE ¼ kk k?1 k?2 consists of the components of an arbitrary wavevector in the ECS

and the inverse M1 1 1 1

E is a 3 3 diagonal matrix with ml , mt , mt along the diagonal. For a

given channel material and for a given conduction band ellipsoid, the directions of the unit

basis vectors kk , k?1 , k?2 relative to the crystal coordinate system (CCS) are known, thus

allowing one to write the 3 3 rotation matrix RE C , which transforms the components of

0 0 0

an arbitrary vector kC ¼ (k1 k2 k3 )T deﬁned in the CCS, to its components in the ECS, i.e.,

kE ¼ R E C kC : (2:23)

coordinate system (DCS) to kC in the CCS as

kC ¼ RC D kD : (2:24)

kE ¼ RE D kD , (2:25)

h 2 T 1

E¼ k M kD , (2:26)

2 D D

M1

D ¼ RTE D M1

E RE D: (2:27)

The above procedure is valid for zinc-blende material systems. A similar procedure could

be applied for wurtzite material systems.

The listing of the Fortran code that performs the following coordinate transformation is

given below:

C Crystalographic orientations

implicit real*8(a-h, o-z)

real rml, rmt

real*8 R1(3,3),R2(3,3),R3(3,3)

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52 Computational Electronics

real*8 RD(3,3)

real*8 A1(3,3),A2(3,3),A3(3,3)

real*8 Inv_m1(3,3)

C Define matrices R1, R2 and R3

R1(1,1) ¼ 1

R1(2,2) ¼ 1

R1(3,3) ¼ 1

R2(1,2) ¼ 1

R2(2,3) ¼ 1

R2(3,1) ¼ 1

R3(1,3) ¼ 1

R3(2,1) ¼ 1

R3(3,2) ¼ 1

rml ¼ 0.916

rmt ¼ 0.19

C Read input parameters

print*, ‘define transport direction’

read*,xt,yt,zt

print*, ‘define width direction’

read*,xw,yw,zw

print*, ‘define wafer orientation’

read*,xo,yo,zo

C Construct matrix RD

rd(1,1) ¼ xt=sqrt(xt*xtþyt*ytþzt*zt)

rd(2,1) ¼ yt=sqrt(xt*xtþyt*ytþzt*zt)

rd(3,1) ¼ zt=sqrt(xt*xtþyt*ytþzt*zt)

rd(1,2) ¼ xw=sqrt(xw*xwþyw*ywþzw*zw)

rd(2,2) ¼ yw=sqrt(xw*xwþyw*ywþzw*zw)

rd(3,2) ¼ zw=sqrt(xw*xwþyw*ywþzw*zw)

rd(1,3) ¼ xo=sqrt(xo*xoþyo*yoþzo*zo)

rd(2,3) ¼ yo=sqrt(xo*xoþyo*yoþzo*zo)

rd(3,3) ¼ zo=sqrt(xo*xoþyo*yoþzo*zo)

do i ¼ 1,3

print*,(rd(i,j),j ¼ 1,3)

enddo

C equivalent valley pair 1 masses: mx, my, mz

do i ¼ 1,3

do j ¼ 1,3

sum ¼ 0

do k ¼ 1,3

sum ¼ sum þ R1(i,k)*rd(k,j)

enddo

A1(i,j) ¼ sum

enddo

enddo

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Introductory Concepts 53

do i ¼ 1,3

do j ¼ 1,3

term1 ¼ a1(1,i)*a1(1,j)

term2 ¼ a1(2,i)*a1(2,j) þ a1(3,i)*a1(3,j)

inv_m1(i,j) ¼ term1=rml þ term2=rmt

enddo

enddo

conf_mass1 ¼ 1=inv_m1(3,3)

rm1p_inv ¼ inv_m1(1,1)-inv_m1(3,1)*inv_m1(3,1)=inv_m1(3,3)

transport_mass1 ¼ 1=rm1p_inv

rm2p_inv ¼ inv_m1(2,2)-inv_m1(2,3)*inv_m1(2,3)=inv_m1(3,3)

rm21p_inv ¼ inv_m1(1,2)-inv_m1(2,3)*inv_m1(3,1)=inv_m1(3,3)

rm2dp_inv ¼ rm2p_inv - rm21p_inv*rm21p_inv=rm1p_inv

width_mass1 ¼ 1=rm2dp_inv

print*,‘ ’

print*, ‘valley pair 1’

print*,transport_mass1, width_mass1, conf_mass1

do i ¼ 1,3

do j ¼ 1,3

sum ¼ 0

do k ¼ 1,3

sum ¼ sum þ R2(i,k)*rd(k,j)

enddo

A2(i,j) ¼ sum

enddo

enddo

do i ¼ 1,3

do j ¼ 1,3

term1 ¼ a2(1,i)*a2(1,j)

term2 ¼ a2(2,i)*a2(2,j) þ a2(3,i)*a2(3,j)

inv_m1(i,j) ¼ term1=rml þ term2=rmt

enddo

enddo

conf_mass2 ¼ 1=inv_m1(3,3)

rm1p_inv ¼ inv_m1(1,1)-inv_m1(3,1)*inv_m1(3,1)=inv_m1(3,3)

transport_mass2 ¼ 1=rm1p_inv

rm2p_inv ¼ inv_m1(2,2)-inv_m1(2,3)*inv_m1(2,3)=inv_m1(3,3)

rm21p_inv ¼ inv_m1(1,2)-inv_m1(2,3)*inv_m1(3,1)=inv_m1(3,3)

rm2dp_inv ¼ rm2p_inv - rm21p_inv*rm21p_inv=rm1p_inv

width_mass2 ¼ 1=rm2dp_inv

print*,‘ ’

print*, ‘valley pair 2’

print*,transport_mass2, width_mass2, conf_mass2

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54 Computational Electronics

do i ¼ 1,3

do j ¼ 1,3

sum ¼ 0

do k ¼ 1,3

sum ¼ sum þ R3(i,k)*rd(k,j)

enddo

A3(i,j) ¼ sum

enddo

enddo

do i ¼ 1,3

do j ¼ 1,3

term1 ¼ a3(1,i)*a3(1,j)

term2 ¼ a3(2,i)*a3(2,j) þ a3(3,i)*a3(3,j)

inv_m1(i,j) ¼ term1=rml þ term2=rmt

enddo

enddo

conf_mass3 ¼ 1=inv_m1(3,3)

rm1p_inv ¼ inv_m1(1,1)-inv_m1(3,1)*inv_m1(3,1)=inv_m1(3,3)

transport_mass3 ¼ 1=rm1p_inv

rm2p_inv ¼ inv_m1(2,2)-inv_m1(2,3)*inv_m1(2,3)=inv_m1(3,3)

rm21p_inv ¼ inv_m1(1,2)-inv_m1(2,3)*inv_m1(3,1)=inv_m1(3,3)

rm2dp_inv ¼ rm2p_inv - rm21p_inv*rm21p_inv=rm1p_inv

width_mass3 ¼ 1=rm2dp_inv

print*,’ ‘

print*, ‘valley pair 3’

print*,transport_mass3, width_mass3, conf_mass3

end

To calculate various optical properties, such as the rate of absorption or emission and how

electrons and holes distribute themselves within a solid, we need to know the number of

available states per unit volume per unit energy. We ﬁrst calculate the available states in

k-space and then use the energy-momentum relation in parabolic bands to give the density

of states in terms of energy.

By considering the electrons in a solid as a free electron gas, that is, the electrons are free

to wander around the crystal without being inﬂuenced by the potential of the atomic

nuclei, we can obtain a relationship for the number of available states in a solid. A free

electron has a velocity v and a momentum p ¼ mv. Its energy consists entirely of kinetic

energy (V ¼ 0), therefore,

1 jpj2

E ¼ mv2 ¼ : (2:28)

2 2m*

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Introductory Concepts 55

Louis De-Broglie ﬁrst hypothesized the idea of particle-wave duality, which associates an

electron wave with a wave number k. For free electrons, k ¼ p=h . In this way, the electron

can be represented by a vector in velocity v, momentum p, or k-space. If we choose to

represent the electron state as a vector, it points in a direction given by the components

magnitude of the basis vectors in k-space. It should be apparent that vectors of the same

magnitude have the same energy forming spherical shells. This can be understood better if

we consider the equation for the energy of the electron in terms of k.

h 2 2 h 2 jkj2

E¼ kx þ ky2 þ kz2 ¼ : (2:29)

2m* 2m*

Classically, all values of energy would be allowed and there would be no restriction on the

number of electrons with the same value of k. However, at atomic scales, the effects of

quantum mechanics dominate and two further important principles come into play. These

are the Heisenberg uncertainty principle and the Pauli exclusion principle. Together, these

two rules mean that the wavefunction for the electron must satisfy the Schrödinger

equation, subject to boundary conditions. The solution of the Schrödinger equation leads

to wavefunctions of the form

Application of the periodic boundary condition to Equation 2.30 leads to the followed set

of allowed k-values

kx ¼ , ky ¼ , kz ¼ , nx , ny , nz ! integers: (2:31)

L L L

The result given in Equation 2.31 suggests that the volume in k-space associated with one

state (if we do not consider the spin of the electron) is V3D ¼ (2p=L)3 . Let us now consider

the spherical shell shown in Figure 2.23. The number of states that can be accommodated in

the shell is

4pk2 dk V

M(k) ¼ 3

¼ 2 k2 dk ¼ g0 (E)dE, (2:32)

(2p=L) 2p

where g0 (E) represents the number of states per unit energy function. For a parabolic band,

the density of states g(E) per unit energy is then given by (taking spin degeneracy into

account)

1 2m* 3=2 1=2

g3D (E) ¼ E dE: (2:33)

2p2 h 2

In two-dimensional (2D) structures, such as a quantum well, the procedure is much the

same but this time one of the k-space components is ﬁxed. Instead of ﬁnding the number of

k-states enclosed within a sphere, the problem is to calculate the number of k-states lying in

an annulus of radius k to k þ d k. The k-space (see Figure 2.24) would be completely ﬁlled if

each state occupied an area of V2D ¼ (2p=L)2 . Using an identical procedure as the one used

in the case of the 3D density of states function calculation, for 2D systems one gets

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56 Computational Electronics

(k̂3) Device

Z

Y Source Top gate Drain

(k̂2)

Channel

Bottom gate

X

(k̂1)

(k̂΄3) (001)

(100) (111)

(k̂΄1)

a

Crystal ( )

k̂΄2

(110)

(010)

Ellipsoid

k 2

k 1

k1

FIGURE 2.23

Visualization of k-space showing values of k as points.

The number of allowed states is the number of these

points contained in the shell of radius k and thickness dk.

ky

kx

FIGURE 2.24

k-Space in 2D. The density of states at an energy E is the number

of k-states per unit volume contained with the annulus of radius

k and thickness dk.

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Introductory Concepts 57

m*

g2D (E) ¼ : (2:34)

2

ph

The one-dimensional (1D) density of states function is calculated using

1 m* 1=2 1

g1D (E) ¼ : (2:35)

p h 2 E1=2

Table 2.4 summarizes the ratio of allowed energies to ground state energy and degeneracy

of the energy level for 2D, 1D, and 0D structures, while the graph shows the density of

states functions plotted against energy. The DOS functions for 3D, 2D, 1D, and 0D cases are

illustrated in Figure 2.25.

TABLE 2.4

Degeneracy of Energy States for Quantum Well (2D), Quantum Wire (1D), and Quantum Box (0D)

2D 1D 0D

State E=E0 n(E) E=E0 Degenerate States n(E) E=E0 Degenerate States n(E)

1 1 1 2 (1,1) 1 3 (1,1,1) 1

2 4 1 5 (2,1),(1,2) 2 6 (2,1,1),(1,2,1),(1,1,2) 3

3 9 1 8 (2,2) 1 9 (2,2,1),(1,2,2),(2,1,2) 3

4 16 1 10 (3,1),(1,3) 2 11 (3,1,1),(1,3,1),(1,1,3) 3

5 25 1 13 (3,2),(2,3) 2 12 (2,2,2) 1

6 36 1 17 (4,1),(1,4) 2 14 (3,2,1),(3,1,2),(2,3,1) (2,1,3),(1,3,2),(1,2,3) 6

7 49 1 18 (3,3) 1 17 (3,2,2),(2,3,2),(2,2,3) 3

8 64 1 20 (4,2),(2,4) 2 18 (4,1,1),(1,4,1),(1,1,4) 3

9 81 1 25 (4,3),(3,4) 2 21 (4,2,1),(4,1,2),(1,4,2) (1,2,4),(2,4,1),(2,1,4) 6

10 100 1 26 (5,1),(1,5) 2 27 (3,3,3) 1

1E+21

9E+20

8E+20

7E+20

Density of states

6E+20

5E+20

4E+20

Bulk (3D)

3E+20

Quantum well (2D)

2E+20

Quantum wire (1D)

1E+20 Quantum dot (0D)

0

0 10 20 30 40 50 60 70 80 90 100 110 120

Energy (meV)

FIGURE 2.25

Density of states for bulk (3D blue), quantum well (2D red), quantum wire (1D green), and quantum Dot AQ8

(0D black).

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58 Computational Electronics

Electron mobility (or simply, the mobility) is a quantity relating the drift velocity of

electrons to the applied electric ﬁeld across a material, according to the formula vd ¼ mE,

where vd is the drift velocity, E is the applied electric ﬁeld, and m is the mobility. In

semiconductors, mobility can also apply to holes as well as electrons. In a solid, electrons

(and in the case of semiconductors, holes) will move around randomly in the absence of an

applied electric ﬁeld. Therefore, if one averages the movement over time, there will be no

overall motion of charge carriers in any particular direction. However, upon applying an

electric ﬁeld, electrons will be accelerated in an opposite direction to the electric ﬁeld. The

summation of the time between the acceleration of electrons due to the electric ﬁeld and the

deceleration of electrons due to collisions and lattice scattering events (caused by phonons,

crystal defects, impurities, etc.) over the mean free path between scattering events results in

the electrons having an average drift velocity (Chapter 3). This net electron motion must be

orders of magnitude less than the normally occurring random motion, otherwise the

mobility equation is not valid (i.e., typical drift speeds in copper being of the order of

104 m=s compared with the speed of random electron motion of 105 m=s). In a semicon-

ductor, the two charge carriers, electrons, and holes will typically have different drift

velocities for the same electric ﬁeld. Since mobility is usually a strong function of material

impurities and temperature, and is determined empirically, mobility values are typically

presented in a table or chart form. The mobility of electrons and holes in silicon at room

temperature is shown in Figure 2.26.

The electron and hole mobilities have a similar doping dependence: for low doping

concentrations, the mobility is almost constant and is primarily limited by phonon scatter-

ing. At higher doping concentrations, the mobility decreases due to ionized impurity

scattering with the ionized doping atoms. The actual mobility also depends on the type of

dopant. The above ﬁgure is for phosphorous and boron doped silicon and is calculated using

(1414 68:5)

mn (N) ¼ 68:5 þ cm2 =V s, (2:36a)

1 þ (N=9:2 1016 )0:711

and

(470:5 44:9)

mp (N) ¼ 44:9 þ cm2 =V s: (2:36b)

1 þ (N=2:23 1017 )0:719

1600

1400

Mobility (cm2/V s)

1200

1000

800

600

400

200

0

FIGURE 2.26 1.0E+14 1.0E+16 1.0E+18 1.0E+20

Electron and hole mobility versus doping density for

Doping concentration (cm–3)

silicon.

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Introductory Concepts 59

These are empirical relations obtained by ﬁtting experimental values. Empirical relations

for the temperature as well as doping dependence of the carrier mobilities in silicon are

available as well and are listed below:

0:57

T 7:4 108 T2:33

mn (N, T) ¼ 88 þ cm2 =V s,

300 1 þ (N=(1:26 1017 (T=300)2:4 ))0:88(T=300)0:146

(2:37a)

0:57

T 1:35 108 T 2:33

mp (N, T) ¼ 54:3 þ cm2 =V s:

300 1 þ (N=(2:35 1017 (T=300)2:4 ))0:88(T=300)0:146

(2:37b)

The surface and interface mobility of carriers is affected by the nature of the adjacent layer

or surface. Even if the carrier does not transfer into the adjacent region, its wavefunction

does extend over 1–10 nm so that there is a nonzero probability for the particle to be in the

adjacent region. The net mobility is then a combination of the mobility in both layers.

Carriers in the inversion layer of a MOSFET have an up to three times lower mobility, since

the mobility in the amorphous silicon dioxide is much lower than that in the silicon. The

presence of charged surface states further reduces the mobility just like ionized impurities

would. For n-channel or p-channel MOSFETs, the electron or hole mobility at the silicon

dioxide=silicon interface has a very strong effect on the speed of the device. More details on

low ﬁeld transport and methods for mobility calculation in different types of semiconduct-

ors are given in Chapter 3 of this book.

The conduction band electron and the valence band hole concentrations in a semicon-

ductor are given by averaging over the density of states discussed in Section 2.6 and the

Fermi Dirac distribution governing the occupancy of electrons and holes at equilibrium

ð

Etop

Ec

ðv

E

Ebottom

For nondegenerate semiconductors (where the Fermi energy is more than 3kBT away from

both the valence and conduction band), the equations for n and p simplify to

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60 Computational Electronics

where NC and NV are the effective density of states in the conduction and valence bands,

respectively, and are

3=2 3=2

2pmn* kT 2pmp* kT

NC ¼ 2 , Nv ¼ 2 : (2:40)

h2 h2

When the semiconductor is undoped, n ¼ p ¼ ni and EF ¼ Ei, which leads to the following

equations for n and p:

p ¼ ni e(Ei EF )=KT : (2:41b)

If the semiconductor is not doped, then the concentration of electrons in the conduction

band n is equal to the concentration of holes in the valence band p, hence n ¼ p ¼ ni where ni

is deﬁned as the intrinsic carrier concentration. Using the equations above, it is easy to

show that the product np is given by

where Egap ¼ EC EV. Thus, we have an equation for the intrinsic carrier concentration

qﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃ

ni ¼ NC NV eEgap =KT : (2:42b)

Besides the np product, we can equate n and p to obtain the intrinsic Fermi energy level

n¼p

EC þ EV kT NC EC þ EV 3kT m*p

Ei ¼ þ ln , Ei ¼ þ ln : (2:43)

2 2 NV 2 4 mn*

The Fermi energy level is a function of the carrier concentration, thus the carrier concen-

tration of the semiconductor may be analyzed as a function of temperature. The ratio of

ionized donor atoms to total donors and the ratio of ionized acceptor atoms to total

acceptor atoms is given by

NDþ 1

¼ gD ¼ 2, (2:44a)

ND 1 þ gD e(EF ED )=KT

NAþ 1

¼ gA ¼ 4, (2:44b)

NA 1 þ gA e(EA EF )=KT

where

ED is the donor energy level

EA is the acceptor energy level

gD and gA are the degeneracy factors

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Introductory Concepts 61

Semiconductor devices are electronic components that exploit the electronic properties of

semiconductor materials, principally silicon, germanium, and gallium arsenide. Semicon-

ductor devices have replaced thermionic devices (vacuum tubes) in almost all applications.

Semiconductor devices are manufactured both as single discrete devices and as integrated

circuits, which consist of a number—from a few to billions—of devices manufactured and

interconnected on a single semiconductor substrate. A list of common semiconductor

devices is given below. They can be separated into the following:

Two-terminal devices:

. DIAC

. Diode (rectiﬁer diode)

. Gunn diode

. IMPATT diode

. Laser diode

. Light-emitting diode (LED)

. Photocell

. PIN diode

. Schottky diode

. Solar cell

. Tunnel diode

. VCSEL

. VECSEL

. Zener diode

Three-terminal devices:

. Darlington transistor

. Field effect transistor (FET)

. Insulated gate bipolar transistor (IGBT)

. Silicon controlled rectiﬁer (SCR)

. Thyristor

. Triac

. Unijunction transistor

Four-terminal devices:

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62 Computational Electronics

Multi-terminal devices:

. Microprocessor

. Random access memory (RAM)

. Read-only memory (ROM)

All transistor types can be used as the building blocks of logic gates, which are fundamental

in the design of digital circuits. In digital circuits like microprocessors, transistors act as on-

off switches; in the MOSFET, for instance, the voltage applied to the gate determines

whether the switch is on or off. Transistors used for analog circuits do not act as on-off

switches; rather, they respond to a continuous range of inputs with a continuous range of

outputs. Common analog circuits include ampliﬁers and oscillators. Circuits that interface

or translate between digital circuits and analog circuits are known as mixed-signal circuits.

Power semiconductor devices are discrete devices or integrated circuits intended for

high current or high voltage applications. Power integrated circuits combine integrated

circuit technology with power semiconductor technology, these are sometimes referred

to as ‘‘smart’’ power devices. Several companies specialize in manufacturing power semi-

conductors.

2.9.1 Diode

The pn junction diode is a two-terminal device made from a pn-junction. At the junction of a p-

type and an n-type semiconductor, a space charge region forms due to the interdiffusion of

positive and negative charges, called the depletion region, which blocks current conduction

from the n-type region to the p-type region, but allows current to conduct from the p-type

region to the n-type region. Thus, when the device is forward biased, with the p-side at higher

electric potential, the diode conducts current easily; when reversed biased, the current is on the

other hand. Exposing a semiconductor to light can generate electron–hole pairs, which

increases the number of free carriers and its conductivity. Diodes optimized to take advan-

tage of this phenomenon are known as photodiodes. Compound semiconductor diodes can

also be used to generate light, as in light-emitting diodes and laser diodes.

The conduction and valence band, total charge density, the potential proﬁle, and the

electric ﬁeld proﬁles in a pn-diode under equilibrium conditions are shown in Figure 2.27.

In Figure 2.27, Vbi is the built-in voltage, W is the width of the depletion region, and Emax

is the maximum electric ﬁeld value. Within the depletion charge approximation, these

quantities are given by

EF Ei

nn0 ¼ ni exp ,

kB T

Ei EF (2:45a)

pp0 ¼ ni exp ,

kB T

kB T pp0 nn0 NA ND

Vbi ¼ ln V T ln ,

q n2i n2i

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Introductory Concepts 63

EC

qVbi

Ei

EF

EV

p-side n-side

W

ρ(x)

qND

+

x

–qNA

–

V(x)

Vbi

x

E(x)

−xp xn

x FIGURE 2.27

Emax Equilibrium conduction band, charge density, potential, and electric

ﬁeld proﬁle variation in a diode.

9 sﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃ

xn þ xp ¼ W =

2ks e0 (NA þ ND )Vbi

Vp (0) ¼ Vn (0) ! W ¼ , (2:45b)

; qNA ND

NA xp ¼ ND xn

dV qNA ND W

Emax ¼ ¼ , (2:45c)

dx x¼0 ks e0 (NA þ ND )

where

NA and ND are the doping at the p- and n-side of the junction

pp0 and nn0 are the equilibrium majority hole and electron concentrations in the quasi-

neutral regions

Under applied bias, the quasi-Fermi levels for the electrons and holes on the n-side and the

p-side, respectively, split and we have the situation depicted in Figure 2.28.

W

EC

EFn

qV

EFp

EV

Energy-band diagram of a diode under forward applied bias.

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64 Computational Electronics

V

np ¼ n2i exp ,

VT

V

np (xp ) ¼ np0 exp , (2:46)

VT

V

pn (xn ) ¼ pn0 exp ,

VT

where

npo is the equilibrium minority electron concentration in the p-region

pno is the equilibrium minority hole concentration in the n-region

The excess minority carrier concentration on both the p-side and the n-side of the junction

(in the quasi-neutral regions) is next found as a solution of the minority carrier diffusion

equation, which gives

(2:47)

Dnp (x) ¼ np0 (eV=VT 1)e(xþxp )=Ln :

The excess variation of the minority carrier concentration in the quasi-neutral regions is

shown in Figure 2.29. The corresponding diffusion components of the currents of the

minority carriers are related to the gradient of this variation

Jpdiff (x) ¼ (e 1)e(xxn )=Lp ,

Lp

(2:48)

qDn np0 V=VT

Jndiff (x) ¼ (e 1)e(xþxp )=Ln :

Ln

The various components of the current in the diode are schematically shown in Figure 2.30.

Under the assumption that there is no recombination in the space-charge region, the total

diode current equals the sum of the minority carrier components of the diffusion currents.

This assumption leads us to the following ﬁnal expressions for the current:

np (x) pn (x)

Forward bias

Space-charge

region W

pn0

np0

x

−xp xn

Reverse bias

FIGURE 2.29

Spatial variation of the minority carrier density in the quasi-neutral regions of a diode.

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Introductory Concepts 65

Jtot

Minority Jpdiff

Minority Jndiff

x

−xp xn

No SCR generation/recombination

FIGURE 2.30

Spatial variation of drift and diffusion components of the current due to both minority and majority carriers.

Dp pn0 Dn np0 V=VT

Itot ¼ Ipdiff (xn ) þ Indiff (xp ) ¼ qA þ (e 1), (2:49)

Lp Ln

Dp pn0 Dn np0 Dp Dn

Is ¼ qA þ ¼ qAn2i þ : (2:50)

Lp Ln Lp ND Ln NA

The current–voltage (I–V) characteristics of Ge, Si, and GaAs diodes are schematically

shown in Figure 2.31. A physical explanation for the origins of the forward and reverse

component of the current is shown in Figure 2.32.

BJTs are formed from two pn-junctions in either a n-p-n or p-n-p conﬁguration. The middle,

or base, region between the junctions is typically very narrow. The other regions, and their

associated terminals, are known as the emitter and the collector. A small current injected

through the junction between the base and the emitter changes the properties of the base-

collector junction so that it can conduct current even though it is reverse biased. This

creates a much larger current between the collector and emitter, controlled by the base-

emitter current. A schematic description and the conﬁgurations of a pnp and npn transistor

are shown in Figure 2.33.

Ge Si GaAs

FIGURE 2.31

V

Schematic of I–V characteristics of a Ge, Si, and GaAs diode.

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66 Computational Electronics

W EC

EC Ln qV

q(Vbi −V ) q(Vbi + |V |)

qV EFp

EFn

EFp EV

EFn

EV

Lp

minority carriers being collected over a

distance on the order of the diffusion length.

FIGURE 2.32

Description of the origin of the various current components under forward (left panel) and reverse (right panel)

bias conditions.

E C E C

B B

E p+ n C E n+ p n C

p

+ +

FIGURE 2.33

VEB VCB VBE VBC

Symbols (top panel) and conﬁguration + +

(bottom panel) of pnp (left) and npn

B B

(right) transistors.

VEB

Forward active region Saturation region

(emitter-base FB, collector-base RB) (both junctions forward biased)

VCB

FIGURE 2.34

Cutoﬀ region Inverted active region

Four modes (regimes) of operation of

(both junctions reverse biased) (emitter-base RB, collector-base FB)

a pnp BJT.

Since this is a three-terminal device, there are four regions of operation of a BJT transis-

tor. The example shown in Figure 2.34 is for a pnp BJT.

Since it has three leads, there are three possible ampliﬁer types that are schematically

shown in Figure 2.35.

The qualitative description of the transistor operation along with some notation that will

be followed in this section are shown in Figure 2.36.

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Introductory Concepts 67

C E

p p+

B B

E C nn VEC n VEC

p+ n p

VEB + VCB

p p

VEB VCB

B

E C

(a) Common-base (b) Common-emitter (c) Common-collector

FIGURE 2.35

Ampliﬁer types.

IEp { base doping

ICp

• Base doping larger than collector

doping

IEn ICn

• Current components:

IE = IEp + IEn

IB1 IB3

IB2 ICn IC = ICp + ICn

IEn IB = IE − IC = IB1 + IB2 − IB3

EC

• IB1 = current from electrons being

back injected into the forward-biased

emitter-base junction

EF

• IB2 = current due to electrons that

EV

replace the recombined electrons in

the base

• IB3 = collector current due to

ICp thermally-generated electrons in the

IEp

collector that go in the base

FIGURE 2.36

Deﬁnition of the emitter, base and collector current components and their physical origin.

If there were no recombinations in the base, the base transport factor is equal to unity. On

the other hand, the emitter injection efﬁciency is calculated according to

IEp IEp

g¼ ¼ , (2:52)

ICp þ IEp IE

and it approaches unity when the emitter doping is much higher than the base doping. The

current ampliﬁcation under DC operating conditions for a common base conﬁguration is

then deﬁned as

adc ¼ ¼ ¼ aT g: (2:53)

IE IEp þ IEn IEp þ IEn

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68 Computational Electronics

IC IC adc

bdc ¼ ¼ ¼ : (2:54)

IB IE IC 1 adc

Another set of parameters that are important for the description of the operation of BJT are

the reverse saturation currents in the common emitter and common base conﬁgurations,

which are given by the following expressions

adc IBC0

IC ¼ adc (IC þ IB ) þ IBC0 ! IC ¼ IB þ ,

1 adc 1 adc

! IC ¼ bdc IB þ IEC0 ,

! IEC0 ¼ (1 þ bdc )IBC0 : (2:55b)

From the above expressions, it is evident that a small base current IB forces the E-B junction

to be forward biased, and injects a large number of holes that traverse the base to the

collector.

Following the same procedure as for pn-diodes, we solve for the minority carrier

concentration in the different regions, which gives the spatial variations of the minority

carrier diffusion currents. This procedure is illustrated in Figure 2.37.

E-B C-B

pB(0) Saturation

nC(0΄)

nE(0˝)

pB(W)

Forward pB(x) nC(x΄)

nE(x˝) nC0

active p

B0

nE0

pB(W)

x˝ x΄

0˝ 0 Cut-off W 0΄

E-B C-B

IE = InE(0˝) + IpB(0) IC = InC(0΄) + IpB(W )

IpB(0)

IpB(W)

InE(0˝) IpB(x)

InE(x˝) InC(0΄) InC(x΄)

IB2 = IpB(0) – IpB(W )

x˝ x΄

0˝ 0 W 0΄

Base recombination current

FIGURE 2.37

Variation of the minority carrier concentration in the quasi-neutral regions of a pnp-BJT (top panel) and the

corresponding diffusion currents (bottom panel).

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Introductory Concepts 69

Using the diagrams shown in Figure 2.37, one obtains the general expressions for the

emitter, base, and collector currents under arbitrary bias conditions of the following form:

DE DB W DB 1

IE ¼ Aqn2i þ coth (eVEB =VT 1) Aqn2i (eVCB =VT 1),

LE NE LB NB LB LB NB sinh(W=LB )

2 DB 1 VEB =VT DC DB

IC ¼ Aqni (e 1) Aqni 2

þ coth(W=LB ) (eVCB =VT 1),

LB NB sinh (W=LB ) LC NC LB NB

DE DB W 1

IB ¼ Aqni

2

þ coth (eVEB =VT 1)

LE NE LB NB LB sinh(W=LB )

DC DB W 1

þ Aqni2

þ coth (eVCB =VT 1): (2:56)

LC NC LB NB LB sinh(W=LB )

The graphical representation of the various current components in the so-called forward

active mode is shown in Figure 2.38.

For the forward-active mode, when the collector base junction is reverse biased and the

emitter-base junction is forward biased, Equation 2.56 simpliﬁes to

DE DB W

IE Aqn2i þ coth eVEB =VT ¼ IEn þ IEp ,

LE NE LB NB LB

DB 1

IC Aqn2i eVEB =VT ¼ ICp ,

LB NB sinh(W=LB )

(2:57)

DE DB cosh(W=LB ) 1

IB Aqni2

þ eVEB =VT

LE NE LB NB sinh(W=LB )

DC DB cosh(W=LB ) 1

Aqni 2

þ :

LC NC LB NB sinh(W=LB )

g¼ ¼ ! : (2:58)

IEp þ IEn 1 þ (LE NE DB =LB NB DE ) coth(W=LB ) short 1 þ (LE NE DB =WNB DE )

base

p+ n p

IE

IEp { } ICp

IC

IEn { ICn

Recombination in the

IB1 IB3

base

IB

FIGURE 2.38

Emitter, base, and collector current components in the forward active mode of operation.

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70 Computational Electronics

ICp 1 W2

aT ¼ ¼ ! 1 2 , (2:59)

IEp cosh (W=LB ) short 2LB

base

bdc ¼ ! : (2:60)

1 þ 2(LE NE DB =LB NB DE ) coth(W=LB ) sinh2 (W=2LB ) short

base

WNB DE

The graphical representation of the various current components for the case of saturation

and cut-off modes of operation are shown in Figure 2.39.

The form of the input and the output characteristics for the common base and common

emitter situation is shown in Figure 2.40.

2.9.3 MOSFET

Another type of transistor, the ﬁeld effect transistor, operates on the principle that semi-

conductor conductivity can be increased or decreased by an external electric ﬁeld. The ﬁeld

may be applied by a reverse-biased p-n junction, forming a junction ﬁeld effect transistor

(JFET), by a reversed biased metal-semiconductor Schottky contact to form a MESFET, or

by an electrode isolated from the bulk material by an oxide layer, forming a MOSFET.

The MOSFET is the most common ﬁeld effect transistor in use today. The gate electrode is

biased to produce an electric ﬁeld that controls the conductivity of a ‘‘channel’’ between

p+ n p

IE

IEp

{ } ICp

IC

IEp΄

{ } ICp΄

IEn

{ ICn

Recombination in the

IB1 IB3

base

IB

p+ n p

IE IC

IEn

ICn

IB is ignored in this diagram

FIGURE 2.39

Emitter, base and collector current components in saturation (top panel) and cut-off (bottom panel) mode of

operation.

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Introductory Concepts 71

Common-base configuration:

IC

Forward active

IE

VCB < –3VT Saturation

IE ≠ 0

VCB = 0

IE = 0

IBC0

VEB VBC

Cutoff

Common-emitter configuration:

IC VCB = 0 Forward active

IB

Saturation

VEC = 0

IB ≠ 0

IB = 0

VEB IEC0

VEC

Cutoff

FIGURE 2.40

Input (left) and output (right) characteristics of a pnp transistor in the common-base (top panel) and common

emitter (bottom panel) conﬁgurations.

two terminals, called the source and drain. Depending on the type of carrier in the channel,

the device may be an n-channel (for electrons) or a p-channel (for holes) MOSFET. Although

the MOSFET is named in part for its historically ‘‘metal’’ gate, in modern MOSFETS,

heavily doped polysilicon is typically used instead. The conﬁguration, symbol, and trans-

fer characteristics for n-channel and p-channel enhancement (normally off) or depletion

mode (normally on) devices are shown in Figure 2.41.

To better understand the operation of a MOSFET device, it is important to understand

the role of the gate and the drain electrode separately on the energy band diagram of a

MOSFET. We begin with a MOSFET in equilibrium to ﬁrst understand the inﬂuence of the

gate electrode for the case of an n-channel MOSFET. A positive bias applied to the gate

electrode results in the following:

1. It reduces the potential energy barrier seen by the electrons ﬂowing from the

source contact to the drain region.

2. It inverts the surface, i.e., changes the carrier type at the surface from holes to

electrons, and increases the conductivity of the channel.

This is schematically shown in Figure 2.42. Note that we have a ﬂux of carriers: one ﬂux of

carriers goes from the source to the drain and is balanced by the ﬂux of carriers that go from

the drain to the source, so the net current in equilibrium, as it should be expected, is zero.

The effect of a positive bias applied to the drain electrode on n-channel MOSFET

operation for the two gate bias conditions from Figure 2.42 is shown in Figure 2.43. The

drain bias pulls the energy bands down on the drain side, resulting in a lowering of the

barrier seen by electrons in the source, which is controlled by the gate potential.

As can be seen from the schematic band diagrams shown in Figure 2.43, the balance of

the carrier ﬂuxes from source-drain and drain-source is disturbed with the application of a

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72 Computational Electronics

G ID

S D

Symbol

n+ n+

p-Type SC

VT VG

(a) n-channel, enhancement mode device

G

S D ID

Symbol

n+ n+

p-Type SC

VG

VT

(b) n-channel, depletion mode device

G ID

S D VT

Symbol VG

p+ p+

n-Type SC

G ID

S D VT

Symbol VG

p+ p+

n-Type SC

FIGURE 2.41

Cross-sectional diagrams, circuit symbols, and transfer characteristics of the four basic MOSFET conﬁgurations.

VG = 0 Source Drain

FIGURE 2.42

Equilibrium band diagram from source to drain

with no gate bias (upper), and with a positive

bias applied for an n-channel MOSFET.

drain bias, allowing a net electron ﬂux from source to drain. For VG ¼ 0, only a small

portion of carriers can overcome the source barrier which, in turn, gives rise to a small

drain current, basically corresponding to the subthreshold mode of operation of the

MOSFET (top panel in Figure 2.43). When VG > VT, the barrier in the source region is

signiﬁcantly reduced, allowing many more carriers to ﬂow from the source to the drain

and the MOSFET is said to be operating in an on-state (linear or saturation, as we will see

later in the text).

Another way of qualitatively describing the MOSFET operation is shown schematically

in Figure 2.44. For VG > VT, the channel forms and for small applied drain bias, the channel

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Introductory Concepts 73

dn/dE

VG = 0, VD > 0

dn/dE

Source

electrons to go from the source to the drain Drain

(subthreshold conduction)

dn/dE

VG > VT, VD > 0

dn/dE

Source

number of electrons to go from the source Drain

to the drain

FIGURE 2.43

The role of the drain electrode.

G

(a) VG >VT, VD > 0 (small) S D

along the channel is small:

ID VD p-Type SC

G

(b) VG >VT, VD > 0 (larger) S D

n+ n+

Increase in the drain current

reduces due to the reduced

conductivity of the channel p-Type SC

at the drain end.

G

(c) VG >VT, VD =VG –VT S D

+

n n+

Pinch-off point. Electron

density at the drain-end of

p-Type SC

the channel is identically zero.

S D

+

dropped across the highly p-Type SC Channel and depletion region formation for

resistivepinch-off region different conditions ranging from subthres-

denoted by ΔL.

hold to pinch-off.

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74 Computational Electronics

is relatively uniform (top panel in Figure 2.44). If we increase the drain bias (second panel

of Figure 2.44), two things occur: (1) the drain current increases due to the increase of the

lateral electric ﬁeld that accelerates the carriers from the source to the drain region and (2)

the channel is nonuniform, i.e., the larger drain bias leads to smaller gate to channel voltage

at the drain side of the channel, which in turn reduces the concentration of inversion layer

electrons there. The current remains constant along the channel due to current continuity,

hence the velocity of the carriers at the drain end of the channel is much larger when

compared with the velocity of the carriers near the source end of the channel where the

concentration is higher, since the product env is constant (the current is mostly drift current

along the channel in the on-state, the contribution of the diffusion component of the current

is insigniﬁcant in this regime). The I–V characteristics, shown in Figure 2.45, correspond to

the various bias conditions given in Figure 2.44.

Using simple capacitor model, the threshold voltage, VT, of a MOSFET may be

derived as

1 pﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃ

VT ¼ 2wF þ 2qNA ks e0 (2wF ) þ VFB , (2:61)

Cox

where

wF ¼ 1qjEF Ei j is the bulk potential

NA is the channel doping

Cox is the oxide capacitance

1 Qit Qf Qot Qm

VFB ¼ fMS þ þ þ got þ gm , (2:62)

q Cox Cox Cox Cox

where

fMS is the metal-semiconductor workfunction

Qit is the interface-trap density

Qf is the ﬁxed oxide charge density

Qox is the oxide charge

Qm is the mobile charge density

In general, the oxide charges are minimized in the device fabrication process.

Analytical MOSFET models are usually based on the so-called gradual channel approxi-

mation (GCA). Contrary to the situation in the ideal two-terminal MOS device, where the

ID

(c) (d)

Linear (b)

region

(a) region

Current voltage (I–V) characteristics correspond-

ing to the various bias conditions shown in VD

Figure 2.44.

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Introductory Concepts 75

charge density proﬁle is determined from a 1D Poisson’s equation, the potential distribu-

tion in a MOSFET is generally 2D. The reason is that the geometric effects and the

application of a drain-source bias create a lateral electric ﬁeld component in the channel,

perpendicular to the vertical ﬁeld associated with the gate capacitor. The GCA states that,

under certain conditions, the electrostatic problem of the gate region may be expressed in

terms of two coupled 1D equations—a Poisson’s equation for determining the vertical

charge density proﬁle under the gate and a charge transport equation for the channel. This

allows us to determine self-consistently both the channel potential and the charge proﬁle at

any position along the gate. A direct inspection of the 2D Poisson’s equation for the

channel region shows that the GCA is valid if we can assume that the electric ﬁeld gradient

in the lateral direction of the channel is much less than that in the vertical direction

perpendicular to the channel, an assumption that breaks down for short channel, nano-

scale devices. Typically, we ﬁnd that the GCA is valid for long-channel MOSFETs, where

the ratio between the gate length and the vertical distance of the space charge region from

the gate electrode, the so-called aspect ratio, is large. However, if the MOSFET is biased in

saturation, the GCA is invalid near drain as a result of the large lateral ﬁeld gradient that

develops in this region.

Based on a simple charge control model, in which the gate charge is completely balanced

by the inversion charge, the following expressions for the drain current in the linear

(VD < VG VT) and saturation region (VD > VG VT) may be derived:

Wmeff Cox 1

ID ¼ (VG VT )VD VD2 for VD VG VT ,

L 2

(2:63)

Wmeff Cox

ID ¼ (VG VT )2 for VD VG VT ,

2L

the so-called square law theory due to the quadratic dependence of the saturated drain

current with the gate voltage. When the gate charge is balanced with the inversion charge AQ9

plus the depletion charge (bulk charge theory), the following results can be derived using a

space-charge control model (SCCM):

( " #)

Wmeff Cox 1 2 4 VD 3=2 3VD

ID ¼ (VG VT )VD VD VW wF 1 þ 1þ ,

L 2 3 2wF 4wF

pﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃ

2ks e0 qNA (2wF ) WT qNA

VW ¼ ¼ ,

Cox Cox

8sﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃ 9

< V V

G T VW 2 VW =

VDsat ¼ VG VT VW þ 1þ 1þ : (2:64)

: 2wF 4wF 4wF ;

The results of the square law and bulk charge theory are shown schematically in Figure

2.46. It is evident that the deviation between the square law and bulk charge theory is

larger for larger channel doping. The role of the series source and drain resistance is

illustrated in Figure 2.47.

When the channel length is scaled to nanometer dimensions, ﬁrst velocity saturation and

then velocity overshoot effects start to dominate the device behavior. Velocity saturation

arises because of the fact that at large in-plane ﬁelds, the effective carrier mobility is not

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76 Computational Electronics

ID

Square-law

NA

increasing Bulk charge

FIGURE 2.46 VD

Square-law versus bulk-charge theory.

VDS

VGS =VG + RS ID

VGS

VDS =VD + (RS + Rd )ID

Oxide

n+ RS RD n+

p-Type SC

ID

ID Rs = Rd = 0

VG3

Rs = Rd = 0

Rs ≠ 0

Rd ≠ 0

VG2

VG1

VG VD

FIGURE 2.47

Effect of Source and drain series resistances on the transfer and output characteristics. (After Pierret.)

constant but decreases with an increase in the electric ﬁeld. When the device is velocity

saturated, then

% - (2:65)

Device width Effective thickness of the inversion layer,

|ﬄﬄﬄﬄﬄﬄﬄ{zﬄﬄﬄﬄﬄﬄﬄ}

QN

Comparing the above expression with the mobility-limited one for a long-channel device,

we ﬁnd that

meff (VG VT )

vsat $ ) For VG VT ¼ 5 V we get L ¼ 1:25 mm (vsat ¼ 107 cm=s):

2L

(2:67)

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Introductory Concepts 77

device. The main difference is that when velocity saturation becomes important, the gate

voltage dependence of the saturated drain current goes from a square law dependence to a

linear dependence.

2.9.4.1 PD=FD SOI Devices

Both partially depleted silicon-on-insulator (PD-SOI) devices and fully depleted silicon-on-

insulator (FD-SOI) devices (shown schematically in Figures 2.48 and 2.49) show promise

for high-performance CMOS, microprocessors, and system-on-a-chip designs. In ultra-thin

body (UTB) SOI structures, the control of short-channel effects (SCE) and threshold voltage

(VT) adjustment can be realized with little or no channel doping. In FD-SOI, the thin silicon

body (<40 nm) is depleted of mobile carriers under all bias conditions. Because a depletion

charge does not exist in the channel, carriers in the inversion encounter a smaller average

electric ﬁeld than in standard bulk silicon devices with heavy channel doping.

FD-SOI devices also provide signiﬁcantly better subthreshold slopes than bulk silicon

transistors. Work by the INTEL corporation has shown that in comparison with bulk

PMOS, FD-SOI devices with raised source-drain contacts achieved better switching per-

formance, comparable channel mobility, and consumed 30% less power. A schematic

description of the inversion charge in conventional MOSFETs, dual-gate (DG) devices,

and FD-SOI devices is shown in Figure 2.48, while the structures of both n-channel and

p-channel SOI devices are shown in Figure 2.49. As shown in Figure 2.48, due to the

broadening of the inversion charge distribution away from the surface in DG and UTB

structures, and the reduced surface ﬁeld at the oxide-semiconductor interface, gate leakage

is correspondingly reduced.

VG = 5 V

4V

Current (0.2 mA/div)

VG = 5 V

VG = 5 V

4V

3V

4V

3V

3V

2V 2V

2V

1V 1V 1V

Drain voltage (1 V/div) Drain voltage (1 V/div) Drain voltage (1 V/div)

Experimental Calculated Calculated

device IV-characteristics with IV-characteristics

velocity saturation without velocity

saturation effect

FIGURE 2.48

Example of a velocity saturated device with channel length 0.2 mm compared with the constant mobility case.

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78 Computational Electronics

band diagrams

charge distribution

Gate

Source Drain

SiO2

Double-gate MOSFET

Gate

Source Drain

Tbody

Gate

Gate Body Gate

SiO2 SiO2

Gate

Source Drain

Device structure, band diagram, and inversion charge in oxide

Gate Body Buried

conventional MOSFETs, dual-gate device structures and SiO2 oxide

fully-depleted SOI device structures.

VG1 VG1

VS VD VS VD

Gate Gate

tox1 tox1

SiO2 SiO2

Source-N+ P Drain-N+ tSi Source-P+ N Drain-P+ tSi

n-Channel p-Channel

VG2 VG2

FIGURE 2.50

n-Channel and p-channel SOI device structures.

Figure 2.50 illustrates the difference between PD-SOI and FD-SOI devices. In the PD case,

the depletion regions associated with the front gate and the back gate do not touch because

the SOI layer is too thick; whereas in the FD case, they overlap and the SOI layer is

completely depleted. The simulated output characteristics of the PD and FD SOI device

structure are shown in the left and right panels of Figure 2.51, respectively. In the case of

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Introductory Concepts 79

gate gate gate gate

PD- FD-

FIGURE 2.51

Depletion regions in PD and FD devices.

4 ×10–4 4 × 10–4

VG =1 V-no impact tSi = 0.3 μm VG = 1 V-no impact tSi = 0.1 μm

3.5 ×10–4 VG = 2 V-no impact 3.5 × 10–4 VG = 2 V-no impact

VG = 3 V-no impact VG = 3 V-no impact

VG = 1 V-with impact

VG = 1 V-with impact

Drain current ID (A/μm)

3 ×10–4 3 × 10–4 VG = 2 V-with impact

VG = 2 V-with impact VG = 3 V-with impact

VG = 3 V-with impact

2.5 ×10–4 2.5 × 10–4

2 ×10–4 2 × 10–4

1 ×10–4 1 × 10–4

5 ×10–5 5 × 10–5

0 × 100 0 ×100

0.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5 0.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5

Drain voltage VD (V) Drain voltage VD (V)

FIGURE 2.52

Output characteristics of PD (left panel) and FD (right panel) SOI devices.

the PD device, there is a noticeable ‘‘kink-effect’’ in the I–V characteristics due to the

presence of impact ionization, which generates excess holes that in turn modify the body

potential. The kink-effect does not appear in the FD device because the impact generated

holes at high drain bias are swept very fast by the source contact and do not lead to

modiﬁcation of the body potential.

The variation of the subthreshold slope for different Si ﬁlm thickness is shown in Figure

2.52. Note that the FD device has much better turn-off characteristics when compared with

the PD device. For this particular device geometry, the transition from PD to FD behavior

occurs around 100 nm Si ﬁlm thickness.

2.9.5 MESFET

A cross-section of a MESFET is shown in Figure 2.53, which consists of a metal semicon-

ductor Schottky barrier contact that controls the conductivity of the region between the

source and the drain. To understand the operation of a MESFET [13], we consider the

section under the gate of Figure 2.53. The source is grounded, the gate is zero or reverse

biased, and the drain is zero or forward biased; that is, VG 0 and VD 0.

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80 Computational Electronics

110

FD and PD SOI-device

100

PD-SOI

95

90

85

80

75 FD-SOI

70

50 100 150 200 250 300 350

Thickness of the Si film (nm)

FIGURE 2.53

Subthreshold slope versus Si ﬁlm thickness.

The drain voltage along the channel is shown on the right side of Figure 2.53. The voltage

drop across an elemental section dx of the channel can be obtained from Figure 2.53 and is

given by

ID dx

dV ¼ , (2:68)

qmn ND Wg [a W(x)]

sﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃ

2es [V(x) þ VG þ Vbi ]

W(x) ¼ : (2:69)

qND

where Vbi is the built-in potential. Now, the drain current ID is constant, independent of x.

Then one can rewrite

The differentiation of the drain voltage dV is obtained from Equation 2.69. Substituting dV

into Equation 2.70 and integrating from x ¼ 0 to x ¼ Lg gives

" #

VD 2 VD þ VG þ Vbi 3=2 2 VG þ Vbi 3=2

I ¼ IP þ , (2:71)

VP 3 VP 3 VP

where

Wg mn q2 ND2 a3 qND a2

IP ¼ and VP ¼ : (2:72)

2es Lg 2es

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Introductory Concepts 81

The voltage VP is called the pinch-off voltage, that is, the total voltage (VD þ VG þ Vbi) at

which W2 ¼ a.

For high-frequency application of MESFETs, an important ﬁgure of merit is the cutoff

frequency fT, which is the frequency at which the MESFET can no longer amplify the input

signal. It is calculated using

gm IP =VP qm ND a2

fT ¼ < n 2 : (2:73)

2pCG 2pWg Lg (es =W) 2pes Lg

Gm is the device transconductance gm ¼ qID =qVGS jVDS ¼const: and is a measure of how

effectively the gate controls the channel charge. From Equation 2.73, one can see that to

improve high-frequency performance, a MESFET with high carrier mobility and short

channel length should be used. The derivation of Equation 2.71 is based on the assumption

that the carrier mobility in the channel is a constant, independent of the electric ﬁeld.

However, for very high-frequency operations, the longitudinal ﬁeld, i.e., the electric ﬁeld

direct from the source to the drain, is sufﬁciently high that the carriers travel at their

saturation velocity. In this case,

The cutoff frequency under the saturation velocity condition is then calculated using

gm Wg vs es =W vs

fT ¼ ¼ ¼ : (2:75)

2pCG 2pWg Lg es =W 2pLg

Therefore, to increase fT, we must reduce the gate length Lg and employ a semiconductor

with a high velocity.

2.9.6 HEMTs

GaAs-based HEMTs and pseudomorphic HEMTs (pHEMTs) [14] are rapidly replacing

conventional MESFET technology in military and commercial applications requiring low

noise ﬁgures and high gain, particularly at millimeter-wave frequencies. The application of

pHEMTs for high-efﬁciency power ampliﬁcation is gaining popularity. Other commonly

used names for HEMTs include modulation doped FET (MODFET), two-dimensional

electron gas FET (TEGFET), and selectively doped heterojunction transistor (SDHT).

Since HEMTs and pHEMTs are ﬁeld-effect transistors, the basic principles of their oper-

ation are very similar to those of the MESFETs described in Section 2.9.5. The main

difference between HEMTs and MESFETs is the epitaxial layer structure. In the HEMT

structure, compositionally different layers are grown in order to optimize and to extend

the performance of the FET. For group III–V semiconductors using a GaAs substrate, the

common materials used are AlxGa1xAs and GaAs. For most device applications, the

AlxAs mole fraction is between 0.2 < x < 0.3. The pHEMT also incorporates InxGa1xAs,

where InxAs is constrained to x < 0.3 for GaAs-based devices. These different layers form

heterojunctions since each layer has a different band gap. Structures grown with the same

lattice constant but different band gaps are simply referred to as lattice-matched HEMTs.

Those structures grown with slightly different lattice constants are called pseudomorphic

HEMTs or pHEMTs. Figure 2.53 shows the band gap energy as a function of the lattice

constant for the group III–V semiconductors [15].

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82 Computational Electronics

V(x)

VG

Gate

Wg

VD

dx

W1

W(x) W2

a

n-type

Source Drain

Lg ID x

VD 0 Lg

(Source) (Drain)

FIGURE 2.54

Cross section of the channel region of a MESFET (left), and drain voltage variation along the channel (right).

TABLE 2.5

Epitaxial Layer Composition for Basic GaAs-Based HEMT and pHEMT Devices Compared

to Those of MESFET

Device Layer MESFET HEMT PHEMT

þ þ þ

Ohmic contact n GaAs n GaAs n GaAs

Schottky contact n GaAs n AlGaAs n AlGaAs

Donor nþ AlGaAs or Si pulse doping nþ AlGaAs or Si pulse doping

Spacer Undoped AlGaAs Undoped AlGaAs

Channel nþ GaAs Undoped GaAs Undoped InGaAs

Buffer p GaAs p GaAs p GaAs

The epitaxial structure of a basic HEMT is illustrated in Figure 2.54. Similar to the

MESFET, the HEMT structure is grown on a semi-insulating GaAs substrate using molecu-

lar beam epitaxy (MBE), or less commonly, metal–organic chemical vapor deposition

(MOCVD). Table 2.5 contains the common MESFET, HEMT, and pHEMT epitaxial struc-

tures. The buffer layer, also typically GaAs, is epitaxially grown on the substrate in order to

isolate defects from the substrate and to create a smooth surface upon which to grow the

active layers of the transistor. Many pHEMT structures contain a superlattice structure to

further inhibit substrate conduction. A superlattice structure is a periodic arrangement of

undoped epitaxial layers used to realize a thicker epitaxial layer of a given property. For

example, alternating layers of AlxGa1xAs and GaAs form a typical pHEMT superlattice.

The AlxGa1xAs has a larger band gap than GaAs, making it superior to GaAs as a buffer.

However, due to strain problems, the AlxGa1xAs layer thickness is limited. To resolve this

problem, the AlxGa1xAs is grown to just below its critical thickness limit and a thin layer

of GaAs is grown on top. The GaAs relieves the strain and allows another layer of

AlxGa1xAs to be grown. This process is typically repeated 10 to 15 times, creating a

layer that is ‘‘essentially’’ a thick buffer of AlxGa1xAs.

In the conventional HEMT structure, the channel is grown next. In the ideal system, all of

the electron conduction would take place in this channel. The most important point about

the channel layer in the HEMT and pHEMT devices is the two-dimensional electron gas

(2DEG) that results from the band gap difference between AlxGa1xAs and GaAs (or

AlxGa1xAs and InxGa1xAs, in the case of the pHEMT). Figure 2.55 illustrates the band

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Introductory Concepts 83

0.64 Binary III-V semiconductor

Ternary III-V semiconductor

0.62 GaSb

Lattice constant a [nm]

AlSb

InAs GaSb

0.60 InP

InP In0.52Al0.48As

0.58 In0.53Ga0.47As

GaAs0.5Sb0.5 GaAs

AlAs

0.56 Ge GaAs

InAlP

In0.49Ga0.51P

Si

AlAsP GaP AlP

0.54

0 0.5 1 1.5 2 2.5

Band gap Eg (eV)

FIGURE 2.55

Band gap energy as a function of lattice constant.

diagram of a generic HEMT showing the 2DEG formed by the different band gaps. The

2DEG is formed since the higher band gap of AlxGa1xAs allows free electrons to diffuse

from the AlxGa1xAs to the lower band gap GaAs (or InxGa1xAs) near the interface.

A potential barrier then conﬁnes the electrons to a thin sheet of charge known as the

2DEG. In contrast to the MESFET, which has a doped channel and consequently a high

density of ionized donors, the donors in the HEMT structure are spatially separated from

the 2DEG (called modulation doping), which results in signiﬁcantly less Coulomb scatter-

ing and very high channel mobilities. The remainder of the HEMT structure contains an

AlxGa1xAs spacer layer, a donor layer nþ AlxGa1xAs, an n AlxGa1xAs Schottky contact

layer, and a highly doped nþ GaAs layer. The spacer layer serves to separate the 2DEG

from any ionized donors generated by the pulse doping or nþ active layer. The drawback

of the spacer layer, however, is that the sheet carrier concentration (total amount of charge)

in the channel is reduced as the spacer layer thickness is increased. The donor layer or

Schottky layer is an nþ AlxGa1xAs layer and serves as the source of electrons. To avoid the

possibility of electron conduction in the AlxGa1xAs (which has low electron mobility), the

thickness of the Schottky must be chosen so that the depletion region of the gate overlaps

the depletion at the AlxGa1xAs=2DEG interface for depletion mode devices. The nþ GaAs

is present to realize low-resistance ohmic contacts. Most of the structures used today are

variants of this basic HEMT structure, having been optimized for performance and appli-

cations. For instance, many pHEMTs used for power applications will incorporate two

silicon modulation doping pulses, the second one below the channel, to increase the total

charge available.

The fabrication and basic operation of HEMT and pHEMT devices are very similar to

those for the MESFET. There exist some differences, mainly related to the presence of the

AlxGa1xAs in the epitaxial structure. As mentioned previously, AlxGa1xAs has a larger

band gap energy than GaAs and the band gap increases with the AlAs mole fraction.

HEMTs require ohmic contacts directly to the 2DEG, which is made more difﬁcult with

increased AlAs mole fraction. An advantage of the AlGaAs is the higher Schottky barrier

height resulting from the deposition of the gate metal on the AlGaAs. Unfortunately, the

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84 Computational Electronics

high doping in the donor layer decreases the breakdown voltage. However, power

HEMT and pHEMT structures with higher breakdown voltages (>10 V) have been

engineered using either double recess technology or by reducing the doping in the

Schottky layer.

Under operation, HEMTs and MESFETs are biased similarly. When a negative gate bias

is applied to the HEMT device, the Schottky layer becomes depleted. As the gate is biased

further, the 2DEG becomes depleted. This results in the modulation of the channel (2DEG)

by a negatively applied gate bias where gain and ampliﬁcation occur until the channel is

pinched off (i.e., fully depleted). The transconductance is given by

ensat Wg

gm ¼ , (2:76)

d

where

e is the permittivity of InxGa1xAs

nsat is the saturated velocity of InxGa1xAs

Wg is the unit gate width of the device

d is the distance from the gate to the 2DEG

Under high-electric-ﬁeld conditions, the HEMT shows a higher saturated velocity over

the MESFET. Since the conduction of electrons from the source to the drain takes place in a

channel that is well conﬁned, gm will remain very high at low drain currents. This is

somewhat contrasted with the MESFET because at low drain currents, the distance d

will increase because the edge of the depletion region enters the tail of the doping proﬁle.

This results in a compression of the gm. The higher mobility of the HEMT results in

lower parasitic drain and source resistances. As a result, ft ¼ gm=(2pCgs) and fmax are

increased from the MESFET case for a given gate length leading to a lower noise ﬁgure

and higher gain.

The reliability of HEMTs and pHEMTs [16] is affected by the epitaxial structure, device

fabrication, and device geometry. One of the drawbacks of using AlxGa1xAs in the

material structure is the occurrence of traps, called DX centers, for AlxAs mole fractions

around x ¼ 0.26. These traps are deep donor levels that can lead to reduced drain current,

an increase in low frequency noise and photoconductivity, and are particularly problem-

atic at low temperatures. Furthermore, the creation of DX centers increases with higher

doping of the AlxGa1xAs. DX centers are avoided by keeping the AlxAs content below

x ¼ 0.24 for n-type doped AlxGa1xAs. A second possible reliability problem that can occur

is the deconﬁnement of the 2DEG under high-temperature conditions. Thermally acceler-

ated testing has shown that the Al can migrate laterally into the gate, resulting in a change

in the conduction band discontinuity.

To take advantage of the high gm, HEMTs and pHEMTs rely on small geometries for

optimum performance. Paralleling the MESFET, HEMTs, and pHEMTs suffer the same

electromigration and metal interdiffusion reliability problems associated with the ohmic

and gate metallizations under device operation. In addition, hot electron traps resulting

from the generation of avalanche electrons are a problem for HEMTs and pHEMTs. The

hot electrons cause degradation in the current and in the gain and power under microwave

drive as they become trapped in the passivation or the AlxGa1xAs passivation interface.

For power devices, catastrophic failures or ‘‘burnout’’ can also be an issue due to the high

channel temperatures resulting from the large currents required for high power.

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Introductory Concepts 85

Source Drain

Source passivation Gate passivation Drain

AIGaAs spacer

InGaAs channel

Back spacer

Backside (δ–)doping

Buffer

Semi-insulating substrate

FIGURE 2.56

Schematic cross section of a High Electron Mobility Transistor (HEMT).

Conduction

band

ΔEC Fermi

level

2DEG

Energy

ΔEV

Valence

band

FIGURE 2.57

Energy band diagram of a generic AlGaAs-GaAs HEMT showing the two-dimensional electron gas (2DEG)

quantum well channel.

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86 Computational Electronics

25 100

Gain and power of HEMTs

of HBTs

20 of other FETs

10

Gain (dB/per stage)

15

10

0.1

5

0 0.01

0 10 20 30 40 50 60 70 80 90 100

Frequency (GHz)

FIGURE 2.58

Gain per ampliﬁer stage and output power of ampliﬁers with HEMTs, HBTs, and other FETs. (Wu, Y.-F. et al.,

Proceedings of the 24th International Symposium on Compound Semiconductors (ISCS 97), WA3, San Diego, CA, 1997.

With permission.)

Problems

2.1 What is the number of the nearest-neighbor atoms for simple cubic, FCC, and BCC

lattice. What is the number of the second nearest neighbors for simple cubic, FCC, and

BCC lattice.

2.2 What are the Miller indices for the planes shown in Figure P.2.2a and b?

z

z

4 4

y y

3 5

2

6

x x

(a) (b)

2.3 What are the Miller indices for the lines formed by the intersection of the crystal plane

shown in Figure P.2.2b) with planes [001], [010], and [100]?

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Introductory Concepts 87

2.4 Find the angle a between the two nearest bonds in the diamond lattice.

2.5 Assume that the maximum donor concentration can be achieved when donor

atoms effectively ‘‘touch’’ each other. The donor atoms are regarded as spheres

with radii

es m0

aBd ¼ aB

e0 mdn

where aB ¼ 0.53 Å is the Bohr radius. Assuming that the semiconductor is GaAs,

estimate the maximum doping concentration. Use es=e0 ¼ 12.9 and mdn=m0 ¼ 0.067.

Hint: Assume that the maximum doping level donors are as closely packed as

possible, even though this is not necessarily a very realistic assumption.

2.6 The primitive translation vectors of the hexagonal space lattice may be taken as

pﬃﬃﬃ a a pﬃﬃﬃ a a

a1 ¼ 3 x þ y;

a2 ¼ 3 x þ y; a3 ¼ cz

2 2 2 2

pﬃﬃﬃ 2

(a) Show that the volume of the primitive cell is 3=2a c.

(b) Show that the primitive translation vectors of a reciprocal lattice are AQ11

2.7 Show that the internal energy per unit volume of a 3D Fermi gas of free particles at

absolute zero is 3NEF(0)=(5V); show that the corresponding result for a 2D Fermi gas

is NEF(0)=(2V).

2.8 Determine the position of the Fermi level in a Si sample at T ¼ 0 K for the following

doping densities:

(a) NA ¼ 1016 cm3 , ND ¼ 0 (p-type sample)

(b) NA ¼ 1016 cm3 , ND ¼ 1015 cm3 (compensated sample)

(c) NA ¼ 1016 cm3 , ND ¼ 1017 cm3 (compensated sample)

(d) NA ¼ 0, ND ¼ 1017 cm3 (n-type sample)

Assume that both the acceptor and the donor type impurities introduce energy levels

within the band gap.

2.9 Given an NA ¼ 1014 cm3 doped Si sample,

(a) Present a qualitative argument for the approximate position of the Fermi level in

the material as T ! 0 K.

(b) Compute and plot the Fermi level as a function of T from T ¼ 300 K to T ¼ 500 K.

(c) Comment on the general position of the Fermi level as a function of T.

(d) How will the above answers be modiﬁed if the Si sample was doped with donors

instead of acceptors?

2.10 Determine the equilibrium electron and hole concentrations inside a uniformly

doped sample of Si under the following conditions:

(a) Room temperature, NA

ND , ND ¼ 1015 cm3

(b) Room temperature, NA ¼ 1016 cm3 , ND

NA

(c) Room temperature, NA ¼ 9 1015 cm3 , ND ¼ 1016 cm3

(d) T ¼ 450 K, NA ¼ 0, ND ¼ 1014 cm3

(e) T ¼ 650 K, NA ¼ 0, ND ¼ 1014 cm3

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88 Computational Electronics

2.11 Calculate the DOS function for a 2D and a 1D system. Use the approach for the

calculation of the 3D DOS function, which was described in class. Sketch the 3D, 2D,

and 1D DOS functions.

2.12 Find the relationship between the Fermi level EF and the electron concentration n for a

2D degenerate electron gas.

2.13 An effective density of states in the conduction band of silicon is equal to

2:8 1019 cm3 (at room temperature). The density of states effective mass for silicon

is 1:182me at 300 K and 1:077me at 77 K, where me is the free electron rest mass.

Consider a sample doped at 1016 cm3 by shallow ionized donors. Find an expression

for the number of electrons per unit energy, dn=dE, in the conduction band as a

function of energy in this sample and plot it at T ¼ 77 K and T ¼ 300 K.

2.14 Consider a silicon sample in the thermal equilibrium at room temperature (300 K).

The intrinsic carrier concentration of Si at this temperature is about 1:5 1010 cm3 .

Plot the concentration of electrons and holes versus acceptor doping in the range from

1013 cm3 to 1017 cm3 for the following shallow-donor concentrations:

(a) 1015 cm3

(b) 1016 cm3

2.15 Find the total charge of electrons injected into the p-region of an nþp silicon diode as a

function of the bias voltage V. The doping density of the p-region is NA, intrinsic

carrier concentration is ni, and the diode temperature is T. The length of the p-region is

L and the diffusion length of electrons in the p-region is Ln. Consider the following

three cases:

(a) Arbitrary relation between L and Ln

(b) L Ln

(c) L

Ln

Assume that at the contacts n ¼ np0, where np0 is the equilibrium concentration of

electrons.

2.16 Derive the expression for the space-charge region width, the maximum electric ﬁeld,

and the depletion capacitance of a linearly graded junction.

2.17 Consider a pn-junction diode. The concentration of holes in the n-section of the device

is described by the continuity equation

d2 pn pn pn0

Dp ¼ 0:

dx2 tp

The concentration of shallow ionized donors in the n-section is equal to 1015 cm3.

The intrinsic carrier concentration is 1010 cm3. The forward voltage applied to the

diode is 0.5 V. Assuming that the length of the n-section, L, is much smaller than the

diffusion length Lp, calculate and sketch the hole distribution in the n-section of the

device. Also, assuming that Dp ¼ 12 cm2=s and the lifetime tp ¼ 1 ms, how short does

the n-section have to be to satisfy the condition that L

Lp (use L ¼ Lp =10 as a

criterion)?

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Introductory Concepts 89

(a) Explain the origins for the deviation of the measured IV characteristics from the

ideal model predictions.

(b) Calculate the series resistance of the diode. Explain how you arrived at your

answer.

10–2

10–3

10–4

Current (A)

10–5

10–6

10–7

10–8

10–9

0 0.1 0.2 0.3 0.4 0.5

Voltage (V)

FIGURE P.2.18

2.19 Show diagrammatically and with analytical expressions (simple ones) the current

components in reverse active mode and in the cut-off mode (Figure P.2.19).

E C

B

(a) Reverse active mode:

E C

B

(b) Cut-off mode

FIGURE P.2.19

Figure P.2.20:

(a) What is the small signal current gain for VCE ¼ 10 V?

(b) What is the output conductance of this device?

(c) Estimate the Early voltage of the transistor. What is the reason for the Early

effect?

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90 Computational Electronics

30.00 m

lb = 120 μA

lb = 90 μA

Collector current (mA)

20.00 m

lb = 60 μA

Change in lc

10.00 m Change in VCE

lb = 30 μA

lb = 0 μA

0.00

0.00 5.00 10.00 15.00 20.00

Collector emitter voltage (V)

FIGURE P.2.20

2.21 Sketch the energy band diagram and the charge distribution in a MOS capacitor with

an n-type semiconductor for the following bias conditions:

(a) Accumulation

(b) Depletion

(c) Inversion

2.22 The ﬁeld distribution in an ideal MOS capacitor is shown in Figure P.2.22.

(a) Sketch the potential and the charge distribution proﬁles. Is the MOS capacitor

biased in accumulation, depletion, or inversion regime?

(b) Calculate the voltage drop in the semiconductor and in the oxide.

(c) What is the magnitude of the oxide capacitance Cox?

(d) Calculate the threshold voltage VTH for the MOS capacitor.

The dielectric permittivity of silicon is es ¼ 1:05 1010 F=m, the oxide permittivity

is eox ¼ 3:45 1011 F=m, the intrinsic carrier concentration equals to ni ¼ 1:5

1010 cm3 and the temperature is T ¼ 300 K.

Electric field (kV/cm)

Oxide

30

20

Si

10

0

0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 x (μm)

FIGURE P.2.22

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Introductory Concepts 91

2.23 Plot the high-frequency CV curves for the three structures shown in Figure P.2.23 on

the same plot. Explain how you arrived at your answer. In your analysis, assume that

the gate voltage is swept very slowly.

G G G

SiO2

p+ p+ n+ n+

+

p-Type SC p-Type SC p-Type SC

FIGURE P.2.23

2.24 A charge density of 2.4 107 C=cm2 is uniformly distributed in the oxide in a

MOSFET structure. The oxide thickness is dox ¼ 150 nm.

(a) Calculate the contribution to the threshold voltage from these charges.

(b) Calculate for the case when all charges are located at the semiconductor=oxide

interface.

(c) Calculate when the charges are located 20 nm away from the semiconductor-oxide

interface into the oxide layer.

In your calculations, use eox ¼ 3:45 1011 F=m for the dielectric permittivity of the

oxide.

2.25 A charge density of 2:4 107 C=cm2 is uniformly distributed in the oxide in a

MOSFET structure. The oxide thickness is dox ¼ 150 nm.

(a) Calculate the contribution to the threshold voltage from these oxide charges.

(b) Calculate for the case when all the charges are located at the silicon–silicon

dioxide interface.

(c) Calculate for the linear charge distribution within the oxide (zero charge density at

the Si–SiO2 interface and maximum charge density at the metal–SiO2 interface).

2.26 Consider nearly two identical silicon MOSFETs. The only difference between the two

devices is that the oxide layer in one of them is perfectly clean and the other one is

contaminated with sodium ions that produce a positive charge density. The concen-

tration of sodium ions equals to 2 1016 cm3 and the thickness of the oxide layer is

0.1 mm. The permittivity of SiO2 is 3:45 1011 F=m.

(a) What is the difference (including sign) in the device threshold voltages if these

devices are n-channel devices?

(b) What is the difference (including sign) in the device threshold voltages if these

devices are p-channel devices?

(c) Assume that the threshold voltage of the n-channel clean device is 1 V and that the

threshold voltage of the p-channel clean device is 1 V. Sketch the qualitative

dependencies of the drain-to-source saturation current on the gate voltage for

all four devices (clean and contaminated n-channel and clean and contami-

nated p-channel devices). Label the thresholds and shifted thresholds on the

gate-voltage axis.

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92 Computational Electronics

2.27 Derive the expressions for the extrinsic transconductance and the extrinsic drain

conductance of a transistor with ﬁnite source and drain series resistances in terms

of those of an ideal transistor with zero series resistances.

2.28 Calculate the dependence of the drain current ID upon the drain voltage VDS for

VGS ¼ 5 V for a silicon MOSFET with the following values of the source (RS) and drain

resistance (RD): RS ¼ RD ¼ 0 V, and RS ¼ RD ¼ 100 V. The device parameters are as

follows:

Gate length: L ¼ 4 mm

Gate width: W ¼ 100 mm

Electron mobility in the channel: mn ¼ 1000 cm2=V s

Dielectric permittivity of gate oxide: eox ¼ 3.45 1011 F=m

Dielectric permittivity of silicon: esc ¼ 1.05 1010 F=m

Flat-band voltage: VFB ¼ 0 V

Substrate bias: Vsub ¼ 0 V

Temperature: T ¼ 300 K

Substrate doping: NA ¼ 1015 cm3

Gate oxide thickness: dox ¼ 20 nm

Intrinsic carrier concentration: ni ¼ 1.5 1010 cm3

In your calculations, use:

(a) Square-law theory

(b) Bulk-charge theory

Repeat the problem for NA ¼ 1016 cm3 and NA ¼ 1017 cm3. Discuss the validity of

the square-law theory versus substrate doping and the inﬂuence of the series resist-

ance on the drain current characteristics of these devices.

2.29 Derive an expression for the drain saturation current of an n-channel MOSFET using

the square-law theory and neglecting velocity saturation effects, i.e., assuming the

constant mobility model, but taking into account the source series resistance RS. Use

the following MOSFET parameters:

Gate oxide thickness: dox ¼ 17.5 nm

Device gate width: W ¼ 100 mm

Gate length: L ¼ 4 mm

Threshold voltage: VT ¼ 1 V

Electron mobility in the channel: mn ¼ 800 cm2=V s

Dielectric permittivity of gate oxide: eox ¼ 3.45 1011 F=m

Gate voltage: VGS ¼ 5 V

Substrate bias: Vsub ¼ 0 V

Plot IDsat versus RS for 2V < RS 20 V.

2.30 Calculate and plot the subthreshold current for a long-channel Si MOSFET as a

function of the gate voltage VGS that varies in the range between VT 1 (V) and VT.

For the drain voltage, assume VDS ¼ 0.01, 0.1, and 10 V. Use the following parameters:

Threshold voltage: VT ¼ 1 V

Substrate doping: NA ¼ 1015 cm3

Electron mobility in the channel: mn ¼ 800 cm2=V s

Device gate width: W ¼ 100 mm

Gate length: L ¼ 20 mm

Gate oxide thickness: dox ¼ 50 nm

Energy band gap: EG ¼ 1.12 eV

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Introductory Concepts 93

Effective density of states in the valence band: NV ¼ 1.83 1019 cm3

Dielectric permittivity of gate oxide: eox ¼ 3.45 1011 F=m

Dielectric permittivity of silicon: esc ¼ 1.05 1010 F=m

Temperature: T ¼ 300 K

2.31 Consider the following idealized ion implantation proﬁle near the semiconductor-

insulator interface in a Si MOSFET (x ¼ 0 corresponds to the semiconductor-insulator

interface). Calculate the threshold voltage shift as a function of Ni for 1014 cm3

Ni 1017 cm3 for dimp ¼ 0.08 mm. Assume

Semiconductor background doping: NA ¼ 1015 cm3

Gate oxide thickness: dox ¼ 50 nm

Energy band gap: EG ¼ 1.12 eV

Effective density of states in the conduction band: NC ¼ 3.22 1019 cm3

Effective density of states in the valence band: NV ¼ 1.83 1019 cm3

Dielectric permittivity of gate oxide: eox ¼ 3.45 1011 F=m

Dielectric permittivity of silicon: esc ¼ 1.05 1010 F=m

Temperature: T ¼ 300 K

Assume shallow ionized acceptors. Deﬁne the threshold voltage as the gate

voltage for which the electron concentration at the surface n(0) is equal to NA þ Ni

(Figure P.2.31).

Doping density

Ni dimp

NA

x=0 Distance x

FIGURE P.2.31

( Zm

eff Cox

(VG VT )VD 12 VD2 , VD < VG VT

ID ¼ L

Zmeff Cox 2

2L (VG VT ) , VD > VG VT

where

meff is the effective electron mobility in the channel

L is the effective channel length

Z is the channel (gate) width

Cox is the gate capacitance

ID is the drain current

VD is the drain voltage (with the source as reference)

VG is the gate voltage

VT is the threshold voltage

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94 Computational Electronics

When the drain and gate are connected, consider the following two cases:

(a) VT > 0

(b) VT < 0

Find and plot ID in terms of VD in each of these two cases.

2.34 A GaAs MESFET is fabricated using an epitaxial layer doped to ND ¼ 1017 cm3 that is

0.2 mm thick. The Schottky barrier metallization has a barrier height of 0.75 eV.

(a) Evaluate the built-in voltage Vbi.

(b) Evaluate the pinch-off voltage Vpo.

(c) Evaluate the threshold voltage VT.

(d) Is the resulting transistor a depletion or enhancement mode device?

(e) What is the depletion layer thickness with zero gate voltage?

2.35 Write a program to evaluate the drain current as a function of VD for a speciﬁed gate

voltage. Use the transistor parameters of Problem 2.34. The program should be valid

for all channel lengths; assume that mn ¼ 5000 cm2=V s and vs ¼ 1.3 107 cm=s.

(a) Plot ID(VD) with VG ¼ 0 for a transistor with L ¼ 10 mm and Z ¼ 100 mm.

(b) Repeat (a) for L ¼ 0.2 mm and Z ¼ 100 mm.

(c) Compare VDsat in (b) with the value VDsat ¼ EsL, which is the extreme velocity

saturation limit. Does this limit apply to a transistor with L ¼ 0.2 mm?

References

1. R. G. Burns, Mineralogical Applications of Crystal Field Theory (Science - Cambridge University

Press, Cambridge, U.K., 1970).

2. C. Kittel, A. Zettl, and P. McEuen, Introduction to Solid State Physics, John Wiley & Sons Inc.

(November 2004).

3. N. W. Ashcroft and N. D. Mermin, Solid State Physics (Harcourt, New York, 1976).

4. C. Thomas, Mechanical Behavior of Materials (Waveland Press, Long Grove, IL, 2000), pp. 85.

5. J. W. Edington, Practical Electron Microscopy in Materials Science (N. V. Philips’ Gloeilampenfab-

rieken, Eindhoven, 1976), ISBN 1-878907-35-2, Appendix 2.

6. L. V. Azároff, R. Kaplow, N. Kato, R. J. Weiss, A. J. C. Wilson, and R. A. Young, X-ray Diffraction

(McGraw-Hill, New York, 1974).

7. D. J. Chadi, Special points for Brillouin-zone integrations, Phys. Rev. B 16, 1746–1747 (1977).

8. S. M. Sze, Modern Semiconductor Device Physics (John Wiley & Sons, Incorporated, New York,

October 1997).

9. M. S. Shur, Introduction to Electronic Devices (John Wiley & Sons, Incorporated, August 1995).

10. D. K. Ferry, Quantum Mechanics: An Introduction for Device Physicists and Electrical Engineers

(Taylor & Francis, Inc., January 2001).

11. E. Mertzbacher, Quantum Mechanics (John Wiley & Sons, Incorporated, December 1997).

12. W. A. Harrison, Electronic Structure and the Properties of Solids: The Physics of the Chemical Bond

(Dover Publications, New York, July 1989).

13. J. C. Bean, Materials and technologies, in High-Speed Semiconductor Devices, S. M. Sze, ed. (John

Wiley & Sons, New York, 1990).

14. J. Mun, ed., GaAs Integrated Circuits, (MacMillan Publishing Company, New York, 1988).

15. F. Ali, and A. Gupta, eds., HEMTs and HBTs: Devices, Fabrication and Circuits (Artech House,

Boston, MA, 1991).

16. Y.-F. Wu, D. Kapolnek, P. Kozodoy, S. Keller, B. P. Keller, S. P. Denbaars, and U. K. Mishra,

AlGaN=GaN MODFETs with low ohmic contact resistance through source-drain nþ

Re-growth, in Proceedings of the 24th International Symposium on Compound Semiconductors

(ISCS 97), WA3, San Diego, CA (1997).

17. A. Christou, ed., Reliability of GaAs MMICs (John Wiley and Sons, West Sussex, U.K., 1992).

Vasileska/Computational Electronics 64835_C002 Page Proof page 95 19.1.2010 11:34am Compositor Name: PG1421

AUTHOR QUERIES

[AQ1] In the sentence beginning with ‘‘The body-centered cubic . . . ’’, please check whether ‘‘BCC’’ is the

correct acronym for this term.

[AQ2] In the sentence beginning with ‘‘Finally, the face-centered cubic . . . ’’, please check whether

‘‘FCC’’ is the correct acronym for this term.

[AQ3] Please check the in-text citation of Table 2.2 for appropriateness.

[AQ4] Please check the appearance of question marks with the data of Table 2.2 and update.

[AQ5] Table 2.2 cited at this occurrence is renumbered as Table 2.3 corresponding to the text discussed.

Please check.

[AQ6] Footnote ‘‘a’’ cross-referred in Table 2.3 is not defined. Please update.

[AQ7] Please provide complete details for the source line of Figures 2.22 and 2.47, and also include the

same in references list.

[AQ8] Figures are to appear in grayscale. Modify the phrase referring to color in the caption of Figure 2.25

accordingly.

[AQ9] Please review the sentence beginning with ‘‘the so-called square law theory . . . ’’ for clarity.

[AQ10] Please provide caption for all problem figures if appropriate.

[AQ11] Please review the sentence beginning with ‘‘Show that the primitive . . . ’’ for clarity.

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