Diamond Science & Technology

Gavin W Morley
Department of Physics
University of Warwick
Diamond Science & Technology

Centre for Doctoral Training, MSc course
Module 2 – Properties and Characterization of Materials
Module 2 – (PX904)
Lectures 5 and 6 – Electronic properties:
Lectures 5 and 6 – Bandstructure of crystals
2 - Lectures 5 and 6 – Bandstructure of crystals
Lectures
4 Electronic structure:
- Atomic physics
- Building crystals from atoms
- Tight binding model
- Drude model of metals
5 and 6 - Sommerfeld model of metals
Bandstructure:
- Bloch’s theorem
- Nearly free electron model
- Semiconductors and insulators
- Relative permittivity
- Intrinsic and extrinsic conductivity
- Metal-insulator transition
- Mobility
1) Most elements are metals,

particularly those on the left
of the periodic table
2) Good conductors of
electricity & heat
3) Tend to form in crystal
structures with at least 8
nearest neighbours (FCC,
HCP, BCC) Schematic model of a crystal of sodium
metal. Page 142, Kittel, Introduction to
4) Malleable Solid State Physics, Wiley 1996
The Drude Model:

1) Gas of electrons
2) Electrons sometimes collide
with an atomic core
3) All other interactions ignored
Paul Drude
(1863 –1906)
The Drude Model:

1) Gas of electrons
2) Electrons sometimes collide
with an atomic core
3) All other interactions ignored
4) Electrons obey the
Schrödinger equation and
the Pauli exclusion principle
Arnold Sommerfeld
(1868 – 1951)
The Drude Model
A map of states in k-space, see also page

173, Singleton, Band Theory and
Electronic Properties of Solids, OUP 2001
The Drude Model
energy (V)
Potential
0
Drude-Sommerfeld potential
Schematics of the potential due to the ions in
the crystal, Page 3, Singleton, Band Theory and
The Drude Model
Dispersion relation for a free electron.

Page 177, Kittel, Introduction to Solid
State Physics, Wiley 1996
The Drude Model:
The Drude Model

Distribution
functions for a
typical metal at vs
room temperature,
Page 10, Singleton, Energy
Band Theory and the Sommerfeld
Electronic
Properties of
model
Number of electrons
Solids, OUP 2001
fFD
Energy
the Sommerfeld
model
Zero
temperature
T=0
Finite
temperature
T << EF/kB
Fermi-Dirac distribution function, Page 9,

Singleton, Band Theory and Electronic Properties
of Solids, OUP 2001
the Sommerfeld
model
At any given moment, roughly how quickly

does one of the fast electrons travel around in
a typical metal at low temperatures?
a) 0 mm s-1
b) 1 mm s-1
c) 7 million mph (1% of c)
d) 200 million mph (30% of c)
e) Officer, I’m so sorry: I’m afraid I wasn’t
looking at the speedometer
the Sommerfeld
model
Fermi-Dirac distribution function, Pages 8&9,

Singleton, Band Theory and Electronic Properties
of Solids, OUP 2001
The Drude Model: Explains temperature dependence

1) Gas of electrons and magnitude of:
2) Electrons sometimes collide a) Electronic specific heat
with an atomic core b) Thermal conductivity (approx.)
3) All other interactions ignored c) Electrical conductivity (approx.)
But does not explain:
a) Insulators & semiconductors
b) Thermopower
c) Magnetoresistence
Arnold Sommerfeld d) Hall Effect
(1868 – 1951)
Beyond the Sommerfeld Model:

1) Gas of electrons
2) Electrons are in a periodic
potential due to the ions
3) Electron-electron
interactions ignored 1
energy (V)
Potential
0
Drude-Sommerfeld potential real ionic potential
Schematics of the potential due to the ions in
the crystal, Page 3, Singleton, Band Theory and
Bloch’s theorem
“Consider a one-electron
Hamiltonian with a periodic
potential:
1
The eigenstates can be
energy (V)
chosen to be a plane wave
Potential
times a function with the
periodicity of the lattice.”
0
Drude-Sommerfeld potential real ionic potential
Bloch’s theorem, Page 16, Singleton, Band Theory

and Electronic Properties of Solids, OUP 2001
The nearly-free electron model
Drude-Sommerfeld potential weak ionic potential

Nearly free electron has bands

Dispersion relation for free and nearly-free
electrons. Page 177, Kittel, Introduction to
Solid State Physics, Wiley 1996

First Brillouin zone
Nearly free electron has bands

Dispersion relation for free and nearly-free
electrons. Page 177, Kittel, Introduction to
Solid State Physics, Wiley 1996
Representing bands
Three energy bands

of a linear lattice.
Page 238, Kittel,
Introduction to Solid
State Physics, Wiley
1996
Diamond model
From the following list,

which is the best model of
diamond?
a) Drude model
b) Sommerfeld model
c) Nearly-free electron
model
d) Tight binding model
Electronic Bandstructure of diamond
W. Saslow, T. K. Bergstresser,
and Marvin L. Cohen, Physical
Review Letters 16, 354 (1966)
Kittel page 238
Heavy-hole band
Light-hole band
Effective mass derivation, Page 42, Singleton,

Band Theory and Electronic Properties of
Solids, OUP 2001
Indirect bandgap
Bandstructure of Si & diamond
Based on M. Cardona and F. Pollack,

Physical Review 142, 530 (1966).)
Bandstructure of Si, page 50, Singleton,
Band Theory and Electronic Properties of
Solids, OUP 2001
Any questions?
Effect of an electric field
Relative permittivity. Page 271, Kittel, Introduction

to Solid State Physics, Wiley 1996

- capacitor
- - - - - -
+ + +
- - -
+ + + + + +
Dielectric properties of insulators, page

533, Ashcroft and Mermin, Solid State
Physics, Harcourt 1976.

- Coulomb field
Page 240, Eisberg and Resnick, Quantum

Physics of Atoms, Molecules, Solids,
Nuclei, and Particles, Wiley 1985
Dielectric permittivity
- static
See J. C. Phillips, Physical Review Letters 20, 550 (1968)
Dielectric constants, page 553, Ashcroft

and Mermin, Solid State Physics, Harcourt
1976.
Dielectric permittivity
- frequency-dependent
- - - - - -
+ + +
- - -
+ + + + + +
→ Dielectric loss
Dielectric properties of insulators, page
533, Ashcroft and Mermin, Solid State
Physics, Harcourt 1976.
Temperature dependence
Energy
Eg
Metal Intrinsic Insulator

Semiconductor
at room
temperature
Cooling semiconductors down

Energy
Eg
Metal Intrinsic Intrinsic Insulator

Semiconductor Semiconductor
at room at low
temperature temperature
Cooling semiconductors down

Energy
Intrinsic Extrinsic
for kBT > Eg for Eg > kBT > donor binding energy
Intrinsic charge carriers

Energy
Intrinsic
holes
Semiconductor at
room temperature

Energy
Intrinsic
Eg
Semiconductor at
room temperature
Page 56, Singleton, Band Theory and


Ge: Eg = 0.74 eV
Si: Eg = 1.17 eV
GaAs: Eg = 1.52 eV
Calculated intrinsic carrier densities versus

temperature. Page 59, Singleton, Band Theory
and Electronic Properties of Solids, OUP 2001
Extrinsic charge carriers

Energy
Intrinsic Extrinsic (n-type) Extrinsic (p-type)
donor impurities acceptor impurities
Semiconductor Semiconductor Semiconductor

at room at room at room
temperature temperature temperature

Si:P
binding energy = 46 meV
Page 240, Eisberg

and Resnick,
Quantum Physics of
Atoms, Molecules,
Solids, Nuclei, and
Particles, Wiley 1985
20 ppb
Dopants in diamond have larger

binding energies so are not
ionised at room temperature
Temperature dependence of the electron density in
silicon with a net donor density ND-NA=1015 cm-3.
Page 61, Singleton
Donor Qubits in Silicon
Picture by Manuel Voegtli

Electron Qubits in diamond
Picture by Alan Stonebraker

Why is diamond an insulator?

Electron energy
4
6
Interatomic spacing
Solve Schrödinger’s equation

for an electron in a box:
Binding energies
for phosphorous
donors:
Silicon: 46 meV
Diamond: 500 meV
Page 240, Eisberg and Resnick,

Quantum Physics of Atoms, Molecules,
Solids, Nuclei, and Particles, Wiley 1985
Why is diamond an insulator rather

than a semiconductor?
a) Wide band-gap means no intrinsic conductivity,

deep dopants mean no extrinsic conductivity
But doped diamond and silicon can

be metals too
Extrinsic
conductivity
Semiconductor Semiconductor
at room at low
temperature temperature
Doped silicon can be a metal
Observed “zero
temperature” conductivity
versus donor
concentration n for Si:P,
after T F Rosenbaum et
al. Page 285, Kittel,
Introduction to Solid State
Physics, Wiley 1996
Doped diamond can be a metal
Charge transport in heavily B-

doped polycrystalline diamond
films, M. Werner et al Applied
Physics Letters 64, 595 (1994)
Sample A has 8 x 1021 cm-3 boron

Electrical conductivity of semiconductors. Page

127, Singleton, Band Theory and Electronic
Properties of Solids, OUP 2001
Carrier mobilities at room temperature in

cm2/Vs. Page 221, Kittel, Introduction to Solid
State Physics, Wiley 1996
PTFE (Teflon)
Silicon
 > 1018 -cm
 ~ 104 -cm
(room temperature)
(room
temperature)
Pure metal
 ~ 10-10 -cm
Superconductors  ~ 0
(1 K)
Tin  ~ 10-5 -cm
(room temperature)
Diamond  ~ 1016 -cm

(room temperature)
10-10 1 1010 1020
Resistivity (ohm-cm)
Diamond properties

Diamond Science & Technology

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Gavin W Morley

Diamond Science & Technology

1) Most elements are metals,

The Drude Model:

The Drude Model:

The Drude Model

A map of states in k-space, see also page

The Drude Model

The Drude Model

Dispersion relation for a free electron.

The Drude Model:

The Drude Model

Solids, OUP 2001

Fermi-Dirac distribution function, Page 9,

At any given moment, roughly how quickly

Fermi-Dirac distribution function, Pages 8&9,

The Drude Model: Explains temperature dependence

Beyond the Sommerfeld Model:

Bloch’s theorem, Page 16, Singleton, Band Theory

The nearly-free electron model

Drude-Sommerfeld potential weak ionic potential

The nearly-free electron model

Nearly free electron has bands

The nearly-free electron model

Nearly free electron has bands

Three energy bands

From the following list,

Electronic Bandstructure of diamond

Electronic Bandstructure of diamond

Kittel page 238

Electronic Bandstructure of diamond

Effective mass derivation, Page 42, Singleton,

Electronic Bandstructure of diamond

Electronic Bandstructure of diamond

Electronic Bandstructure of diamond

Bandstructure of Si & diamond

Based on M. Cardona and F. Pollack,

Effect of an electric field

Relative permittivity. Page 271, Kittel, Introduction

Effect of an electric field

Dielectric properties of insulators, page

Effect of an electric field

Page 240, Eisberg and Resnick, Quantum

See J. C. Phillips, Physical Review Letters 20, 550 (1968)

Dielectric constants, page 553, Ashcroft

Metal Intrinsic Insulator

Cooling semiconductors down

Metal Intrinsic Intrinsic Insulator

Cooling semiconductors down

Intrinsic charge carriers

Intrinsic charge carriers

Page 56, Singleton, Band Theory and

Intrinsic charge carriers

Calculated intrinsic carrier densities versus

Extrinsic charge carriers

Semiconductor Semiconductor Semiconductor

Extrinsic charge carriers

Page 240, Eisberg

Extrinsic charge carriers

Dopants in diamond have larger

Donor Qubits in Silicon

Picture by Manuel Voegtli