Crystallography

And
Crystalline Defects

3 types of solids
Crystalline
All atoms arranged on a common lattice

Polycrystalline
Different lattice orientation for each grain

Amorphous
Atoms are disordered (no lattice)

Crystal Structure
Atoms are arranged on a regular grid called a lattice.
Bravais lattice (the only 14 unique lattices possible in three dimensions) an infinite
array of points that appears the same from any lattice point.
The 14 Bravais Lattices
Simple Cubic
Body Centered Cubic
Face Centered Cubic
Simple Tetragonal
Centered Tetragonal
Simple Orthorhombic
Base Centered Orthorombic
Body Centered Orthorhombic
Face Centered Orthorhombic
Simple Monoclinic
Centered Monoclinic
Triclinic
Trigonal
Hexagonal

Crystal Structure

only
Polonium

Na, W, Cr, Fe, K,

Mo

Al, Au, Cu,

Pt,

lattice parameter = ao = length of a cube side

Silicon Lattice
Crystalline structure of Si and Ge (also Sn) DIAMOND (C) = belongs to the family of
cubic crystals interpenetration of two fcc where one sub-lattice is moved away
from the other along the diagonal of the cube of an amount corresponding to of its
length
3
(that is to say a shift = a 0
)
4
In diamond structure:
All atoms are equal
Every atom is sorrounded by
4 atoms placed at the same
distance at the corners of a
tethraedre look at the
gray spheres

Zincoblend structure
typical of III-V compunds
(GaAs, InP, ):
Similar to diamond, but one
fcc is made by III atoms and
the other by V atoms

Silicon Lattice

Miller Indices
For thin films, we are interested in surfaces => cut crystals in
different ways.
Describe surfaces by Miller indices

General
Procedure

Specific Example

1. Cut
crystal along
some plane.

cut along a face of a cube

2. Determine
x, y, z,
intercepts
(xo, yo, zo)
3. Take
reciprocals
and reduce
to smallest
integer.

(1, infinity, infinity)

(100) plane
[if we had used the (200) plane, reduce to
(100)]

Miller Indices
z

y
x

{100}

{110}

y
{111}

What would these surfaces look like ?

Note how open some surfaces

are packed and how dense
others are packed
Different
surfaces
have
different arrangements of
atoms => different properties
(mechanical,
chemical,
electrical, )

Families of Miller Indices

(h,k,l) is the notation used for a specific plane ((100) for example)
Families of equivalent planes can be referred to using braces {h,k,l} the notation
{100} refers to the six planes on the cube faces.
[h,k,l] is the notation used for a specific direction ([100] for example)
Families of equivalent vectors can be referred to using angle brackets <h,k,l>
the notation <100> refers to the six directions x, y, and z.

A plane has the same Miller indices as its normal vector ([h,k,l] is normal vector to
(h,k,l) plane) in a cubic lattice

Miller Indices (100) - 6

z
<100>
[001]
<100>
[100]
<100> [010]

[010] <100>
[100]
<100>
[001]

<100>

(010) (unique)
{100}
(set)
[001] (unique)
<100> (set)

Miller Indices (110) - 12

z
<110>
[011]

<110>
[101]

<110>
[011]

[110] <110>

y
<110>

[110]

[101]
<110>

(011) (unique)
{110}
(set)
[101] (unique)
<110> (set)

Miller Indices (111) - 8

<111>

<111>
[111]

[111]

<111>

[111]

[111] <111>

[111]
<111>

[111]
<111>

(111) (unique)
{111}
(set)
[111] (unique)
<111> (set)

Crystalline Defects
Real crystal is different from ideality
Finite dimensions surface atoms present dangling bonds
Presence of defects

Defects classification
Point defects
Line defects
Surface defects
Volume defects

Defects have a strong influence on electrical, chemical,

mechanical and optical properties of the semiconductor

Point Defects

self interstitial - extra atom

vacancy - missing atom
substitutional impurity - impurity atom in lattice
interstitial impurity - impurity atom not in regular
lattice site
point defects often arise from:
fast deposition
low substrate temperatures no time for atoms to
move to crystal lattice sites

Line Defects
Edge dislocation = insertion of an extra
row of atoms distorts lattice
stresses (compression and tension)

Often 1010 - 1012 dislocations/cm2 in films

Form from:

film growth process

dislocations in substrate continuing into film

contamination on substrate

LINE DEFECTS

Surface Defects
GRAIN BOUNDARIES
Interfaces between two single crystal
regions of different orientation
atoms at grain boundaries tend to be
loosely bound more reactive
(corrosion) and accelerated diffusion
along grain boundaries
Number of grain boundaries in film (grain
size) depends on deposition rate and
substrate temperature. Generally:
lower T smaller grains many boundaries
higher T larger grains fewer boundaries
grain size is often proportional to film
thickness (thinner films tend to have smaller
grains)

GEMINATION
Abrupt variation of crystal orientation

Volume Defects
Impurities have an intrinsic solid solubility in
the host crystal (variable with temperature)
Usually solid solubility decrease with
decreasing temperature
so if impurities are introduced at
maximum concentration for a certain T, then
T is lowered, some impurities (the excess
respect to the solid solubility at that
temperature) can precipitate in local
concentration.
Locally the volume of the crystal can
drastically change volume dislocations

Volume Defects in SiC

Micropipes

100m

Comets

50 m

2 m

100m
50 m