Sie sind auf Seite 1von 177

Solid State Physics

Dr. Hong-Yi Chen

2017/5/26

National Taiwan Normal University Department of Physics 88 TING-CHOU RD. SEC. 4, TAIPEI 116, TAIWAN

1 1

Basic Notion

1.

Lattices

1-1 Crystal Structures 1-2 Reciprocal lattice 1-3 X-Ray Diffraction 1-4 Brillouin Zone

2.

Bloch Theory

2-1 Bloch Theorem 2-2 Bloch Wave Function 2-3 Supercells

3.

Phonons

3-1 Lattice Vibrations

3-2 Quantum Mechanics of Atomic Vibrations 3-3 Phonons

Summary

Periodicity, Quasiparticles

Metal

4.

Statistical Thermodynamics

4-1 Review of Statistics

4-2 Phonon Density of States 4-3 Lattice Specific Heat 4-4 Lattice Thermal Conductivity

5.

Free Particle Theory

5-1 Drude Theory

5-2 Sommerfeld Theory

5-3 Electron Density of States 5-4 Electronic Specific Heat 5-5 Compressibility and Susceptibility

6.

Classical Transport

6-1 Lorentz Theory 6-2 Boltzmann Equation 6-3 Transport Coefficient 6-4 Impurity Scattering 6-5 Phonon Scattering

7.

Band Theory

7-1 Tight-Binding Method 7-2 Wannier Wave Function 7-3 Electronic Band Structure

1 2

7-4 Nearly Free Electron Model 7-5 Metal & Insulator

8. Fermi Liquid Theory

8-1 Jellium Model

8-2 Hatree-Fock Approximation 8-3 Random Phase Approximation 8-4 Landau Quasiparticles 8-5 Landau Fermi Liquid Theory

8-6 First-Principles Calculations 8-7 Stability of Fermi Liquid

Summary

Basic Equations

Appendix

Math background

1 3

Preface & Bibliography

Graduate Level

1.

Prerequisite Knowledge: Quantum Mechanics, Statistical Mechanics

2.

N. W. Ashcroft & N. D. Mermin, Solid State Physics (Saunders College).

3.

Yuri Galperin, Introduction to Modern Solid State Physics (CreateSpace Independent Publishing Platform).

4.

J. M. Ziman, Principles of the Theory of Solids (Cambridge University Press).

5.

Theoretical Physics Reference

http://www.theoretical-physics.net/dev/index.html

Undergraduate Level

1. Prerequisite Knowledge: Quantum Mechanics

2. Charles Kittle, Introduction to Solid State Physics (John Wiley & Sons).

3. Steven H. Simon, The Oxford Solid State Basics (Oxford University Press).

1 4

 

1-1 Lattice Structures

 

Tuesday, December 20, 2011

8:22 PM

A.

CRYSTALLINE STRUCTURE

(1)

A crystal is made up by repetition of one or more atoms (basis or building block).

 
 

(2)

These basis are commonly referred to as points within a crystal lattice site.

 
 
 

OS:

These points don't tell you the position of an atom in a crystal. They are simply points 'in space' oriented in such a way to build a crystal lattice.

(3)

Any lattice point

obtained from another point

as

with

is

called periodic lattice.

 
 
 

OS:

For an arbitrary lattice point

, there is an infinite array of points

such that the lattice

appears exactly the same regardless of which point the arrangement is viewed from.

The collection of all vectors

constitutes a set of discrete points is called Bravais [bravei] lattice (1850).

B.

CONSTRUCT LATTICE

 

(1)

The Bravais lattice can be made up by periodically repeating unit cells.

 

1 5

(2) Unit cell: A unit cell has number of lattice points per unit cell primitive

(2)

Unit cell:

A unit cell has number of lattice points per unit cell primitive unit cell.

number of lattice points per unit cell primitive unit cell. OS: . When , the unit

OS:

. When

, the unit cell is called

A cell is translated by a SUBSET of vectors of the Bravais lattice.

A primitive unit cell is translated by ALL the vectors of the Bravais lattice.

The physical dimension of a unit cell is called lattice constant or lattice parameter referred to as

and . The volume of a unit cell is

.

EXAMPLES:

1. Linear chain of

identical atoms

unit cell is . EXAMPLES: 1. Linear chain of identical atoms Lattice constant 2. Linear chain

Lattice constant

2. Linear chain with two kinds of atoms

,

,

Lattice constant 2. Linear chain with two kinds of atoms , , Lattice constant 3. Antiferromagnetic

Lattice constant

3. Antiferromagnetic chain

of atoms , , Lattice constant 3. Antiferromagnetic chain Nonmagnetic lattice constant: Magnetic lattice constant: 4.

Nonmagnetic lattice constant:

Magnetic lattice constant:

4. Graphene:

constant 3. Antiferromagnetic chain Nonmagnetic lattice constant: Magnetic lattice constant: 4. Graphene: 1 第 6 頁

1 6

C.

(3)

C. (3) Honeycomb lattice = Hexagonal lattice + 2-point basis Lattice constant: Wigner-Seitz cell (1934) A

Honeycomb lattice = Hexagonal lattice + 2-point basis Lattice constant:

Wigner-Seitz cell (1934)

A smallest possible primitive unit cell, which consist of one lattice point and all the surrounding space

closer to it than to any other point. CONSTRUCTION:

space closer to it than to any other point. CONSTRUCTION: 1. One chooses any lattice point

1. One chooses any lattice point and draws connecting lines to its closest neighbors.

2. One constructs the perpendicular bisectors of the connecting lines.

3. The enclosed area is the Wigner-Seitz cell.

EXAMPLES:

Two-dimensional antiferromagnetic lattice

cell. EXAMPLES: Two-dimensional antiferromagnetic lattice Lattice constant: DISCRETE SYMMETRIES OF A UNIT CELL (1)

Lattice constant:

DISCRETE SYMMETRIES OF A UNIT CELL

(1)

Discrete translation

1 7

Crystalline structure means spatial periodicity or discrete translational symmetry. (2) Point group: inversion, rotation,

Crystalline structure means spatial periodicity or discrete translational symmetry.

(2) Point group: inversion, rotation, and reflection (3) The number of Bravais lattices is limited
(2)
Point group: inversion, rotation, and reflection
(3)
The number of Bravais lattices is limited by symmetry of the unit cell

1. 2D lattice

lattices is limited by symmetry of the unit cell 1. 2D lattice 2. 3D lattice (classified

2. 3D lattice

(classified in 7 categories)

1 8

1 第 9 頁

1 9

A.

1-2 Reciprocal Lattice

201651

下午 08:30

FOURIER SERIES OF BRAVAIS LATTICE PERIODIC FUNCTION

(1)

Any function

that is periodic in the lattice can be expanded in a Fourier series of the reciprocal

lattice vector

.

PROOF:

1. Given a function

defined in the volume

transform over the finite system are

where

is continuous in general.

, the Fourier transform and its inverse Fourier

2. Apply the periodic boundary conditions (Born-von Karman boundary conditions):

where

is discrtized

OS:

The distance between neighboring points in the discrete

the system’s length along any direction. When

density of the specific solid in question (thermodynamic limit), the continuum.

-space is inversely proportional to

is taken to infinity and preserve the mass

values tend to a

The inverse Fourier transform becomes a Fourier series and

is the Fourier coefficient.

3. is periodic with period where

Assume

:

and

where

is the volume of a unit cell.

1 10

The equation above gives zero unless

is periodic in

-space

4. The discrete set of

that satify

can define a periodic array which is referred to as

the reciprocal lattice. Introduce 3 new basis vectors (reciprocal vectors) reciprocal lattice and is defined by

such that

forms the basis of the

An arbitrary point on the lattice is given by which satisfy

is independent of the size of the finite system.

5. The inverse Fourier transform becomes

where Brillouin zone is a unit cell in the reciprocal lattice. The reciprocal lattice can be made up by periodically repeating Brillouin zones.

(2)

6.

Proof

is preodic

An infinite system with periodic translational symmetry can be approximated by a finite number of lattice points with periodic boundary conditions.

1 11

B.

RECIPROCAL LATTICE

(1)

One way to satisfy

is to construct

such that they obey

is the volume of the unit cell. The reciprocal lattice is a Bravais lattice, with basis vectors also primitive.

EXAMPLES:

Graphene

.

If the vectors

lattice, with basis vectors also primitive. EXAMPLES: Graphene . If the vectors 1 第 12 頁

1 12

are primitive, then

are

A.

1-3 X-Ray Diffraction

Tuesday, May 14, 2013

4:08 PM

CRYSTAL DIFFRACTION

(1)

X-Ray X-rays interact with electronic shells of atoms in a solid. Electrons absorb and re-radiate X-rays. The

reflectivity of X-rays is of the order of Therefore, X-rays serve as a bulk probe. OS:

, so that the penetration in the solid is deep.

 

Previous section has mathematically proved the reciprocal space and reciprocal lattice. In this section, the reciprocal lattice will be introduced from the point of view of the experimental results.

(2)

Bragg diffraction (1913)

 

In crystalline materials, for certain wavelengths and incident directions, intense peaks of scattered radiation were observed.

 
 

Bragg accounted for this by regarding a crystal as made out of parallel planes of lattices described by Miller indices, spaced by distance apart.

 
 

Constructive interference occurs when the difference in path length is an integral number of wave

length

, i.e.,

OS:

 

However, X-ray diffraction cannot see the atoms directly. It only sees Bragg peaks in different positions and directions and of course their intensities after the X-ray is scattered from a single crystal. Each Bragg peak in the diffraction pattern is related to the lattice planes. The lattice planes can be defined with the help of Miller indices (hkl).

(3)

Laue equation

 

OS:

Laue formulated an alternative theorem to the Bragg law for diffraction. This theorem is beneficial because it does not require the assumptions used by Bragg, that reflection is specular and involves parallel planes of atoms.

Max von Laue: Sharp peaks are observed only in the directions and at wavelengths for which the X-rays scattered from all lattice points interfere constructively.

1 13

B.

Two scatterers (lattice points) separated by a lattice translation vector

scattering is elastic, i.e. the wavelength of the incident and the scattered X-ray is the same as

. We assume that the

and the scattered X-ray is the same as . We assume that the . The path

.

The path difference between the X-ray scattered from the two scatterers should be an integer number of wavelengths.

Let Constructive interference occurs when

Since

(diffraction condition)

, a general solution to the equation above is

with

with Diffraction occurs when the change in wave vector equals a reciprocal lattice vector. OS:

What is the necessary conditions for

to form a reciprocal lattice?

(a)

implies that

is discritized.

(b)

implies that

has translational symmetry.

EQUIVALENCE BETWEEN BRAGG'S LAW AND LAUE CONDITION

(1)

Miller indices (1839) Miller indices are a symbolic vector that indicates the orientation of a plane or set of parallel planes of atoms in a crystal.

Find the Miller indices:

1.

Determine the intersection of the plane with primitive vectors as

.

2.

Take the reciprocals of the intercepts

.

3.

If fractions result, multiply each by the denominator of the smallest fraction.

 

4.

Refers to a family of parallel planes labled as

.

EXAMPLES:

4. Refers to a family of parallel planes labled as . EXAMPLES: Intercepts Reciprocals Miller indices

Intercepts

Reciprocals

Miller indices

4. Refers to a family of parallel planes labled as . EXAMPLES: Intercepts Reciprocals Miller indices

1 14

Intercepts Reciprocals Miller indices Intercepts Reciprocals Miller indices (2) Theorem: The reciprocal lattice vector

Intercepts

Reciprocals

Miller indices

Intercepts Reciprocals Miller indices Intercepts Reciprocals Miller indices (2) Theorem: The reciprocal lattice vector

Intercepts

Reciprocals

Miller indices

(2)

Theorem: The reciprocal lattice vector

is perpendicular to the lattice plane

described by Miller indices PROOF:

.

Suppose that the intercepts of a plane with primitive vectors are

 

.

intercepts of a plane with primitive vectors are   . Considering two vectors and lie on

Considering two vectors

and

lie on the lattice plane.

The reciprocal lattice vector

is perpendicular to the plane

.

(3)

Theorem: The distance between two adjacent parallel lattice planes is PROOF:

 

.

1 15

From the diffraction condition The larger the , the closer the lattice planes, and less

From the diffraction condition

The larger the

, the closer the lattice planes, and less atoms on the plane.

(4)

From Laue equation

 

Replacing

to

, which also satisfy the translational symmetry of the reciprocal lattice. We obtain

translational symmetry of the reciprocal lattice. We obtain lying on the Bragg plane implies that diffraction

lying on the Bragg plane implies that diffraction occurs about planes which are perpendicular bisectors of reciprocal lattice vectors.

Each reciprocal lattice point represents the various Bragg peaks (diffraction peaks).

(5)

Ewald sphere construction (1913)

1.

Construct a circle with radius

2.

Wherever a point touches the circle, Bragg's law is obeyed and a diffracted beam will occur.

1 16

C.

C. DIFFRACTION AMPLITUDE (1) Scattering from a lattice     Scattering occurs due to the interaction

DIFFRACTION AMPLITUDE

(1)

Scattering from a lattice

 
 
 

Scattering occurs due to the interaction of the incident X-ray with the electron charge distributed in a

solid with charge density

. The amplitude of scattering by an infinitesimal volume

is

proportional to the charge at this point, i.e. scattered wave. The total amplitude of the scattering is given by

, and a phase factor

acquired by the

The intensity is proportional to The charge density that is periodic lattice

can be expanded in Fourier series of the reciprocal

where

is the Fourier component of the charge density.

 

If

, then

, i.e. the intensity of a Bragg peak is determined by the Fourier component of

the charge density

.

(2)

Scattering from a lattice with basis The scattering amplitude at the diffraction condition

 

1 17

where

is the structure factor

It is convenient to write the charge density as the superposition of the charge densities associated with each atom of a basis

where

is the atomic form factor, which is determined by the charge density of atom

in the basis.

EXAMPLES:

A bcc lattice contains two identical atoms

EXAMPLES: A bcc lattice contains two identical atoms The atomic form factors are the same, i.e.

The atomic form factors are the same, i.e.

Diffraction peaks are observed, e.g. from (110), (200), (211) planes, but not from (100), (111), (210) planes.

1 18

1 第 19 頁

1 19

 

1-4 Brillouin Zone

 

Tuesday, May 14, 2013

4:08 PM

A.

BRILLOUIN ZONE (1930)

(1)

The Brilliouin zone is defined by the area surrounded by the planes that are perpendicular bisectors of the vectors from the origin to the reciprocal lattice points.

EXAMPLES:

Consider a two dimensional reciprocal lattice and a reciprocal vector

. Draw a line, which is

orthogonal to

and intercepts it in the midpoint.

 
 

It is easy to see that any condition.

vector connecting the origin and the plane should satisfy the diffraction

In the similar way, draw other lines, which satisfy the diffraction condition.

 
 

The enclosed area is called Brillouin zone. The vectors the crystal.

at the zone boundary can be Bragg reflected by

B.

FIRST BRILLOUIN ZONE

 

(1)

The first Brillouin zone is the smallest volume entirely enclosed by the planes that are perpendicular bisectors of the reciprocal lattice vectors. The first Brillouin zone is the Wigner-Seitz primitive cell in the reciprocal lattice. The volume of the first Brillouin zone is (volume of the unit cell)

OS:

1 20

EXAMPLES:

1. 1D chain

EXAMPLES: 1. 1D chain 2. 2D rectangular lattice (2) Symmetric points 1. Square lattice 1 第

2. 2D rectangular lattice

EXAMPLES: 1. 1D chain 2. 2D rectangular lattice (2) Symmetric points 1. Square lattice 1 第

(2)

Symmetric points

1. Square lattice

EXAMPLES: 1. 1D chain 2. 2D rectangular lattice (2) Symmetric points 1. Square lattice 1 第

1 21

C.

2. Honeycomb lattice

C. 2. Honeycomb lattice BRILLOUIN ZONE FOLDING (1) Modulated crystallography   1. Periodic crystal  

BRILLOUIN ZONE FOLDING

(1)

Modulated crystallography

 

1. Periodic crystal

 
 

2. Commensurately modulated aperiodic crystal

 
 

A

superstructure is constructed by an integral number of unit cells larger than the original unit

 

cell.

 
 

The new periodicity with a characteristic wavevector lattice constant.

is a rational fraction or multiple of the

3. Incommensurately modulated aperiodic crystal

 

A

structure can NOT repeat on a unit-cell boundary.

A structure can NOT repeat on a unit-cell boundary. The new periodicity is irrational.   (2)

The new periodicity is irrational.

 

(2)

The X-ray diffraction pattern

1.

Periodic crystal: the reciprocal lattice points.

1. Periodic crystal: the reciprocal lattice points. 2. Commensurately modulated aperiodic crystal The diffraction

2.

Commensurately modulated aperiodic crystal The diffraction pattern is modulated and the standard periodic main reflections are surrounded by satellite reflections.

The satellite locations are defined by a

vector

All components of the

EXAMPLES:

vector are rational.

1 22

3. Incommensurately modulated aperiodic crystal (3) The satellite peaks of EXAMPLES: vector, at least one

3. Incommensurately modulated aperiodic crystal

(3)

The satellite peaks of EXAMPLES:

vector, at least one component is irrational.

of EXAMPLES: vector, at least one component is irrational. Brillouin zone folding 1. Real space 2.

Brillouin zone folding

1. Real space

is irrational. Brillouin zone folding 1. Real space 2. Reciprocal space (First Brillouin zone) 3. Reciprocal

2. Reciprocal space (First Brillouin zone)

1. Real space 2. Reciprocal space (First Brillouin zone) 3. Reciprocal lattice vectors 4. Folding EXAMPLES:

3. Reciprocal lattice vectors

4. Folding

Brillouin zone) 3. Reciprocal lattice vectors 4. Folding EXAMPLES: 1. Structure of plane 2. Schematic of

EXAMPLES:

1.

Structure of

plane

lattice vectors 4. Folding EXAMPLES: 1. Structure of plane 2. Schematic of antiferromagnetic order. The solid

2. Schematic of antiferromagnetic order. The solid line indicates the chemical unit cell, while the dashed line indicates the doubled area of the antiferromagnetic unit cell.

chemical unit cell, while the dashed line indicates the doubled area of the antiferromagnetic unit cell.

1 23

3. Reciprocal space showing fundamental Bragg peak (filled circle) positions and antiferromagnetic superlattice peak (open

3. Reciprocal space showing fundamental Bragg peak (filled circle) positions and antiferromagnetic

superlattice peak (open circle) at

.

Bragg peak (filled circle) positions and antiferromagnetic superlattice peak (open circle) at . 1 第 24

1 24

 

2-1 Bloch Theorem

 

Tuesday, December 20, 2011

8:30 PM

 

A.

HAMILTONIAN FOR PERIODIC POTENTIAL

 

(1)

Lattice translation symmetry

 

With the periodic potential

 

, the Hamiltonian is Invariance under lattice translation

(2)

Lattice translation operator

 

1.

2.

Product rule of

(3)

The eigenvalues of translation operator are exponential.

 

PROOF:

 

commute with

 

and

have the common eigenfunctions

B.

BLOCH [B-loch] CONDITION

 

(1)

is linear in PROOF:

 

Translations along different vectors add

 
 

, so

is linear in

.

(2)

Bloch condition The wave function with respect to the discrete translation symmetry is

PROOF:

 

Let

2 25

A.

2-2 Bloch Wave Function

Tuesday, December 20, 2011

8:30 PM

SCHRODINGER EQUATION IN THE PERIODIC POTENTIAL

(1)

The Schrodinger equation in the reciprocal lattice

 

can be expanded in a Fourier series of the reciprocal lattice vector

.

To solve the equation, we use plane waves as basis and expand the wave function in the following form

where we do not assume that The Schrodinger equation becomes

has the periodicity of the lattice.

Relabel

Central equation is the Schrodinger equation in Fourier series form for a periodic structure.

(2)

Maps

into the first Brillouin zone

Let

where

is the reciproacl lattice vector

 

Redefine

Relabel

(3)

The wave function of the

-representation is

 

2 26

B.

The eigenenergy must also be labeled by

(4)

Crystal momentum

is conserved in crystals and

is only up to

BLOCH WAVE FUNCTION (1928)

(1)

The Bloch wave function

 

and a cell-periodic

 

The periodic wave function can be written as the product of a cell-invariant part part

. Felix Bloch (Swiss physicist): The electrons can sneak by all ions in a metal because the wave differed from the plane wave by a periodic modulation.

(2)

Translation symmetry in reciprocal lattice

1. The Bloch function PROOF:

2. The eigenenergy

PROOF:

is periodic in

-space, i.e.

is periodic in

-space, i.e.

2 27

(3)

There are

-points in the first Brillouin zone.

PROOF:

1. Born-von Karman boundary conditions where Applying Bloch's theorem gives

are the total number of primitive cells in the crystal.

2. Volume per point in

-space

The number of allowed

-values in a Brillouin zone is equal to the number of unit cells in the crytsal.

2 28

A.

2-3 Supercells

Tuesday, December 20, 2011

8:30 PM

NON-PERIODIC SYSTEM

(1) An infinite lattice (2) A defect removes periodicity (3) Constructing a supercell
(1)
An infinite lattice
(2)
A defect removes periodicity
(3)
Constructing a supercell
A defect removes periodicity (3) Constructing a supercell The supercell is replicated periodically throughout space.

The supercell is replicated periodically throughout space.

The supercell must be large enough so that the systems contained within each one, which in reality are

isolated, do not interact significantly.

2 29

B.

PERIODIC BOUNDARY CONDITIONS

(1)

The infinite periodic lattice is modeled by a large number of supercells stacked together. Periodic boundary condictions are chosen for approximating an infinite system by using a small part.

(2)

Apply periodic boundary conditions (Born-von Karman boundary conditions) to the wave-functions.

(Born-von Karman boundary conditions) to the wave-functions. , where is the total number of supercells. Bloch

, where

is the total number of supercells.

Bloch theorem in primitive cell:

2 30

 

3-1 Lattice Vibrations

 

Tuesday, December 20, 2011

8:26 PM

A.

LATTICE VIBRATIONS

(1)

Consider

identical atoms of mass

 

atom from its equilibrium position

with periodic boundary condition. For small displacement on the one can expand the potential energy near its minimal value

 

Let

 
 
 

OS:

 

The first term is a constant which can simply be absorbed in setting the zero of energy. By the definition of equilibrium, the second term must vanish (the net force is zero at equilibrium). The third term is quadratic in the displacements, so called harmonic term.

(2)

The Hamiltonian in the harmonic approximation is

 

(3)

Classical equation of motion

Let

depends only on the relative positions of atoms

and

, i.e. on

B.

ONE-ATOMIC LINEAR CHAIN

 
 
 

(1)

Dispersion relation and band structure

 

Assume

(spring constant)

 

Trial function

 

3 31

It is impossible to discriminate between and . Therefore, it is natural to choose the

It is impossible to discriminate between

and

. Therefore, it is natural to choose the region

(the first Brillouin zone) to represent the dispersion law in the whole

-space.

(2)

Periodic boundary condition

(2) Periodic boundary condition The set of values is restricted to the first Brillouin zone, The

The set of

values is restricted to the first Brillouin zone,

The total number of

values in the first Brillouin zone is

.

(3)

Near zone center (small

approximation or long wave vibrations limit)

where

is the sound velocity in a homogeneous elastic medium.

(4)

Zone boundary

1. Phase velocity: the propagation of the equal phase planes

Group velocity: the energy transfer

3 32

C.

2. At the boundary

The boundary modes can transfer energy.

DIATOMIC CHAIN

The boundary modes can transfer energy. DIATOMIC CHAIN (1) Band folding 1. Lattice vector Reciprocal

(1)

Band folding

1.

Lattice vector

Reciprocal vector

Zone boundaries

folding 1. Lattice vector Reciprocal vector Zone boundaries 2. Lattice vector Reciprocal vector Zone boundaries The

2.

Lattice vector

Reciprocal vector

Zone boundaries

2. Lattice vector Reciprocal vector Zone boundaries The dispersion curve lying outside the region Brillouin

The dispersion curve lying outside the region Brillouin zone.

must be folded back into the first

(2)

Dispersion relation

the region Brillouin zone. must be folded back into the first (2) Dispersion relation Assume 3

Assume

3 33

D.

(3)

At center

At boundaries

(3) At center At boundaries OS: As , the potentials between atoms are not uniform. The

OS:

As

, the potentials between atoms are not uniform. The potentials between atoms can be

described as a periodic potential well/barrier. For any periodic potential, Bragg refection at the

Brillouin zone boundaries allow vibrations to have ONLY a certain frequency. The periodic potential will result in discrete energy band gaps at the zone boundary.

(4)

Structure of vibrations

At very long waves

1. For

limit,

All the atoms move next to synchronously, like in an acoustic wave in the homogeneous medium.

like in an acoustic wave in the homogeneous medium. 2. For The center of mass remains

2. For

The center of mass remains unperturbed. In an ionic crystal such a vibration produce alternating dipole moment. Frequency is in infrared.

vibration produce alternating dipole moment. Frequency is in infrared. 3D LATTICES (1) Equation of motion 3

3D LATTICES

(1)

Equation of motion

3 34

(2)

where

is the polarization vector along

The dynamical matrix is

directions and

One gets the eigenvalue problem Eigenvectors

Eigenvalues

(normal modes)

The displacement can be written as

Periodic boundary condition

The wavevector

is

, satisfied for

where The set of

The total number of

are the reciprocal lattice vectors.

-values is restricted to the first Brillouin zone.

-values in the first Brillouin zone is

three primitive directions.

3 35

A.

3-2 Quantum Mechanics of Atomic Vibrations

Tuesday, December 20, 2011

8:26 PM

CLASSICAL APPROACH (NORMAL MODES)

(1)

Define normal coordinates (Fourier transform)

(2)

The Hamiltonian becomes

which is the sum of OS:

independent simple harmonic oscillators.

3 36

B.

QUANTUM MECHANICAL APPROACH (PHONONS)

(1)

Schrodinger equation

Eigenvalues

 

Eigenfunctions

 

where

is Hermit [hur-mit] polynomial.

OS:

 

Quantum mechanical approach gives the quantized frequency

frequency

can be considered as a particle with energy

, i.e. the vibration with

. The wavefunctions describe

the displacement of the

th atom. The square of the amplitudes of the wavefunctions, i.e.

intensities, correspond to the size of the particles.

 

Phonon is referred to as a quasiparticle and represents an excited state in the quantum mechanical quantization of the lattice vibrations.

Phonons are elementary excitations over the zero-point vibration energy

(2)

Second quantization

Introducing the creation

and annihilation

3 37

operators

The Hamiltonian becomes

where

vibrational frequency in state The energy of one phonon is OS:

is the occupation number operator for phonons with energy

and polarization

.

.

,

is the

Second quantization approach gives the quantized intensities, i.e. the number of the particles

.

3 38

 

3-3 Phonons

 

Tuesday, December 20, 2011

8:22 PM

A.

NONINTERACTING PHONONS

 

Ignoring the interaction, the particle at th energy level is equivalent to put state.

particles at the ground

Displacement

OS:

Usually the summation of

is difficult to calculate. We could transform the summation to the

integration by introducing an auxiliary function

, the density of states.

B.

ANHARMONIC OSCILLATOR

 

(1)

The general Hamiltonian of the real crystal

 

where

is the harmonic term and

 

is the anharmonic term.

(2)

Considering the anharmonic term as a small perturbation, the rate of the transition, i.e. the Fermi's Golden Rule, is

OS:

When you solve an Hamiltonian for the harmonic oscillator you get a set of eigenstates which by definition are orthogonal and thus you have phonons that don't interact. When you include a non harmonic term to the Hamiltonian and treating it as a perturbation you get new eigenstates that are a mixture of those the simple harmonic oscillator. This mixture is what it's called phonon- phonon interaction.

C.

PHONON-PHONON SCATTERING

 

(1)

Anharmonic term

3 39

Let

and

OS:

The value of zone. Now define

indicates the conservation of momentum is uniquely determined since

must all lie within the rst Brillouin

The Hamiltonian

becomes

(2)

Feynman diagrams:

1.

: annihilates three phonons

(2) Feynman diagrams: 1. : annihilates three phonons 2. : annihilates two phonons and creates a

2.

: annihilates two phonons and creates a third phonon

2. : annihilates two phonons and creates a third phonon 3. : annihilates a phonon and

3.

: annihilates a phonon and creates two phonons

phonon 3. : annihilates a phonon and creates two phonons 4. : creates three phonons (3)

4.

: creates three phonons

phonon and creates two phonons 4. : creates three phonons (3) Most phonon-phonon scattering conserves crystal

(3)

Most phonon-phonon scattering conserves crystal momentum and contains

or

3 40

1. Normal process: -values are very small compared to the reciprocal lattice vector . 2.
1. Normal process: -values are very small compared to the reciprocal lattice vector . 2.
1. Normal process:
-values are very small compared to the reciprocal lattice vector
.
2. Umklapp process (backscattering process):
-values are close to
and the sum of
and
is

outside the first Brillouin zone.

(backscattering process): -values are close to and the sum of and is outside the first Brillouin

3 41

 

Summary

Periodicity, Quasiparticles

 

Tuesday, December 20, 2011

 

8:22 PM

A.

PERIODICITY

 

(1)

Lattice A large number of supercells with periodic boundary condition repeats indefinitely to construct a crystal lattice.

(2)

Reciprocal lattice

 
 

(3)

Bloch Electrons A system has the periodic potential, and then the function

is periodic in the reciprocal space,

B.

QUASIPARTICLES

 

(1)

The lattice vibrations can be described as a set of quasiparticles (phonons) with quasimomentum

and energy

.

(2)

They can be treated as the Bose particles with zero chemical potential, the only difference being that in

all the interaction processes quasimomenta

are conserved with the accuracy of

.

C.

TO BE

3 42

3 第 43 頁

3 43

A.

4-1 Review of Statistics

Tuesday, December 20, 2011

8:29 PM

STATISTICAL ENSEMBLE (Gibbs 1902)

OS:

Ensemble: A large number of virtual copies of a system, have the same macrostate, but different microstates. Different macrostate lead to different type of ensemble.

(1)

Microcanonical ensemble (Isolated system)

 
 

1. An isolated system with the fixed volume

, the fixed number of particles

, and the fixed energy

.

 
 

2. The combinations of with degeneracies

particles (identical and indistinguishable) distribute into the energy level

3. Microcanonical partition function

 

OS:

Partition function: encode how the probabilities are partitioned among the different microstates, based on their individual energies.

4. Boltzmann principle Entropy is a measure of the number of possible microstates of a system in thermodynamic

equilibrium, consistent with its macrostate.

 

5. Temperature

(2)

Canonical ensemble (Closed system + heat reservoir)

 

1. A closed system with the fixed volume

and the fixed number of particles

thermally contacts

to a heat reservoir to approach the thermal equilibrium.

to a heat reservoir to approach the thermal equilibrium. 2. Canonical partition function 3. Thermodynamics (a)

2. Canonical partition function

3. Thermodynamics

(a) Internal energy

4 44

(b)

Specific heat

Specific heat is changes in the internal energy with respect to temperature.

(c)

Helmholtz free energy

(d)

Entropy

(3)

Grand canonical ensemble (Open system + heat reservoir + particle reservoir)

1. An open system with the fixed volume

and thermally contacts to a particle reservoir and heat

reservoir to approach the thermal equilibrium.

and heat reservoir to approach the thermal equilibrium. 2. Grand canonical partition function 3. Distribution

2. Grand canonical partition function

3. Distribution function

The distribution functions are

4 45

B.

4.

Thermodynamics

(a)

Thermodynamic potential

(b)

Entropy

PHONON GAS

(1)

The canonical partition function of an oscillator with energy

is

(2)

The mean energy of one oscillator is

OS:

The combinations of

Internal energy

phonons distribute into the energy level

4 46

with degeneracies

C.

(3)

The number of phonons is not conserved: they can be created or annihilated in course of interactions. Therefore they should be determined from the condition of equilibrium, i.e. from the request of

minimum of free energy. As a result, for phonons equilibrium number of phonons with a given frequency.

. The Bose-Einstein function determines the

ELECTRON GAS

(1)

At a finite temperature, some of the electrons will be excited to states above the Fermi energy. The probability that a given energy state is occupied by fermions follows the Fermi function:

state is occupied by fermions follows the Fermi function: where is the chemical potential (the increased

where

is the chemical potential (the increased free energy needed to add an electron to the system).

(the increased free energy needed to add an electron to the system). (2) Thermodynamic potential (3)

(2)

Thermodynamic potential

(3)

Entropy

4 47

(4)

Notice that for

goes to zero as

Helmholtz free energy

goes to zero.

4 48

 

4-2 Phonon Density of States

 

Tuesday, December 20, 2011

8:26 PM

A.

INTEGRAL OVER FREQUENCY

(1)

Connection between summation and integral For any function

 
 
 

we have

(2)

The allowed (independent)

values were given by

 

and are restricted to the first Brillouin zone, i.e. OS:

 

.

If

,

, and

are integers,

indicates the reciprocal lattice points.

The summations over

can be converted to integrals as follows:

 

(3)

Any summation over allowed

values can be converted into an integral over frequency as follows:

Density of States

: the number of normal modes per unit volume in the infinitesimal [in-fin-i-

tes-uh-muh l] range between

and

.

B.

DENSITY OF STATES (DOS)

 

(1)

Surface integral

Let

be the surface in

-space on which

 

has the value

.

 
 

4 49

C.

C. The frequency change in terms of in going from the surface to the surface ,

The frequency change

in terms of

in going from the surface

to the surface

, an infinitesimal displacement in

-space as

The volume element

in

-space can be written as

EXAMPLES:

1. Isotropic

in 1D

2. Isotropic

in 2D

3. Isotropic

in 3D

(2)

Volume integral

PROOF:

VAN HOVE SINGULARITY (1953)

(1)

From the surface integral,

where

is the group velocity

4 50

can be expressed

D.

When

, the integrand exists singularities. Those singularities are called van Hove

singularity. Since

, the modes at

values do not transfer energy.

(2)

The singularities occur as the dispersion is flat at nearby the The dispersions are flat at

value.

1.

the center of the Brillouin zone (minimum)

2.

the zone boundaries (minimum or maximum)

3.

along high symmetry directions (minimum, maximum, or saddle point)

PHONON DENSITY OF STATES

(1)

One-atom linear chain

where

PHONON DENSITY OF STATES (1) One-atom linear chain where The function has an absolute maximum for

The function has an absolute maximum for

The function has an absolute minimum for

The band width is The DOS is

1. Surface integral

2. Volume integral

4 51

.

or

.

Fourier transform of a Bessel function

Fourier transform of a Bessel function The singularities occur as gives The dispersion is flat at

The singularities occur as

gives

The dispersion is flat at the boundaries of the first Brillouin zone. The modes at transfer energy.

(2)

One-atom square lattice

The band width is The DOS is

4 52

do not

The singularities occur as (3) One-atom cubic lattice The band width is , 4 第

The singularities occur as

(3)

One-atom cubic lattice

The band width is

,

4 53

The singularities occur as , 4 第 54 頁

The singularities occur as

,

4 54

 

4-3 Lattice Specific Heat

 

Tuesday, December 20, 2011

8:26 PM

A.

DULONG-PETIT LAW (1819)

(1)

The empirical Dulong-Petit law

 
LAW (1819) (1) The empirical Dulong-Petit law   (2) Classical model 1. Equipartition theorem   2.

(2)

Classical model

1. Equipartition theorem

 

2. Density of states

3. Internal energy

B.

EINSTEIN MODEL (1907)

 

(1)

Einstein assume:

1. The motion of each atom is described by a harmonic oscillator

 
 
 

2. Each atom vibrates with the same frequency

, because without interaction between atoms the

dispersion curves of the various phonon branches (optical phonon) become simply constant.

OS:

The normal modes of vibration have a spectrum

, where

is restricted to the rst

Brillouin zone and

is the polarization of the mode.

 

4 55

(2)

Method: Density of states

OS:

From the surface integral, the integrand diverges as Internal energy (in thermal equilibrium)

.

(3)

Method: Partition function

the integrand diverges as Internal energy (in thermal equilibrium) . (3) Method: Partition function (4) Limit

(4)

Limit

4 56

C.

1. Low-temperature limit:

2. High-temperature limit:

DEBYE MODEL (1912)

(1)

Debye assume:

1. Atoms vibrate collectively in a wave-like fashion

assume: 1. Atoms vibrate collectively in a wave-like fashion 2. The phonon spectrum (acoustic phonon) for

2. The phonon spectrum (acoustic phonon)

for all values of

in the first Brillouin zone.

phonon) for all values of in the first Brillouin zone. 3. Debye replaced the Brillouin zone

3. Debye replaced the Brillouin zone by a sphere of the same volume

(2)

Density of states

4 57

where

are the speed of a longitudinal and of a transverse sound wave.

the speed of a longitudinal and of a transverse sound wave. (3) Internal energy   Let

(3)

Internal energy

 

Let

and

and ignore the zero-point vibration energy,

where

and and ignore the zero-point vibration energy, where (4) Limit 1. Low-temperature limit: 2.

(4)

Limit

1.

Low-temperature limit:

2.

High-temperature limit:

4 58

4 59

A.

4-4 Lattice Thermal Conductivity

Tuesday, December 20, 2011

8:26 PM

THERMAL CONDUCTIVITY

(1)

Fourier's Law (1822)

(1) Fourier's Law (1822) The ratio of the thermal current to the magnitude of the temperature

The ratio of the thermal current to the magnitude of the temperature gradient,

(2)

Kinetic theory

of the temperature gradient, (2) Kinetic theory 1. The energy of phonon along the - direction

1. The energy of phonon along the

-direction

Kinetic theory 1. The energy of phonon along the - direction where is the mean free

where

is the mean free path

2. The energy flux of

phonons is

where

is the Maxwell-Boltzmann velocity distribution

3. The energy flux along the

-direction

4 60

B.

(mean free time between collisions, i.e. relaxation time)

OS:

INSULATOR

OS:

is related to the scattering processes is related to the phonon energy

(1)

At high temperature,

 
 

1.

constant

2.

Scattering process:

 

Phonons with

values close to a reciprocal lattice vector

will be thermally excited.

to a reciprocal lattice vector will be thermally excited. The umklapp scattering processes will degrade the

The umklapp scattering processes will degrade the thermal current.

OS:

Phonons have high energy at high temperature. The high energy phonons correspond to

the large

values.

The rate of collisions between phonons

 

(2)

At intermediate temperature,

 

1.

2.

Scattering process:

Phonons with small

values are excited.

Scattering process: Phonons with small values are excited. The normal scattering processes do not degrade the

The normal scattering processes do not degrade the thermal current. The rate of collisions between phonons

4 61

(The conductivity rises more steeply with falling temperature.)

(3)

At low temperature,

 

1.

2.

Scattering process:

 

Phonons with

exist.

The rate of collisions between phonons

(4)

The thermal conductivity of an insulator

exist. The rate of collisions between phonons (4) The thermal conductivity of an insulator 4 第

4 62

 

5-1 Drude Theory

 

Tuesday, December 20, 2011

8:29 PM

OS:

 

Treats electrons as a gas following Boltzmann statistics.

A.

DC

CONDUCTIVITY (OHM'S LAW)

 

(1)

In the presence of an constant electric field

Drude (1900) proposed a collision mechanism by which electrons make collisions every

second.

In each collisions all of the electron's forward velocity is reduced to zero and it must be accelerated again. The result is a constant average velocity:

(2)

The current density

 
 

where

is the electron concentration

B.

AC

CONDUCTIVITY

Let

and

5 63

C.

C. ELECTRONIC THERMAL CONDUCTIVITY (1) The energy per electron at equilibrium at is . where is

ELECTRONIC THERMAL CONDUCTIVITY

(1)

The energy per electron at equilibrium at

is

.

(1) The energy per electron at equilibrium at is . where is the thermal velocity (2)

where

is the thermal velocity

(2)

Specific heat

5 64

D.

WIEDERMANN-FRANZ LAW (1853)

 
 

At a given temperature the ratio of the thermal conductivity to the electrical conductivity was the same for all metals.

OS:

This empirical law is named after Gustav Wiedemann and Rudolph Franz, who in 1853 reported

that

has approximately the same value for different metals at the same temperature. The

proportionality of

with temperature was discovered by Ludvig Lorenz in 1872.

E.

PLASMA FREQUENCY

(1)

Maxwell's equations

Assume

5 65

F.

(2)

The complex dielectric constant

In the limit

HALL EFFECT (1879)

(1)

In the presence of a magnetic field (weak

field) and an electric field

 
field (weak field) and an electric field   (2) Cyclotron frequency The Lorentz force Under the

(2)

Cyclotron frequency The Lorentz force

Under the magnetic field, the electron moves circularly. Supposing the centrifugal force is equal to the

Lorentz force, the cyclotron frequency

is

(3)

The external magnetic field induce an effective electric field The Newton's equations become

. The induced field

is coupled to

.

5 66

G.

(4)

The conductivity tensor

& resistivity tensor

(5)

Hall resistivity

G. (4) The conductivity tensor & resistivity tensor (5) Hall resistivity SPECIFIC HEAT (1) 5 第

SPECIFIC HEAT

(1)

5 67

H.

(2)

Experimentally, one finds a value of about

valence electrons (rule of Dulong and Petit), as if the electrons do not contribute at all.

at room temperature, independent of the number of

OUTCOME OF DRUDE MODEL

(1)

Successes

Dc conductivity

Ac conductivity

Electronic thermal conductivity

Wiedermann-Franz law Plasma frequency

Hall effect

(2)

Shortcoming

Specific heat

5 68

A.

5-2 Sommerfeld Theory

Tuesday, December 20, 2011

8:30 PM

QUANTUM THEORY OF ELECTRON GAS (1928)

OS:

Arnold Johannes Wilhelm Sommerfeld (1868-1951)

(1)

As the freely moving electrons cannot escape the surface of the material, they may be treated as

particles confined (trapped) in a box of size

. The Schrodinger equation is

The plane wave solution is

(2)

Box boundary condition (open boundary condition):

vanishes at the boundary

where

(open boundary condition): vanishes at the boundary where Energy of the electrons inside the material is

Energy of the electrons inside the material is quantized and hence is discrete.

(3)

Born-von Karman boundary conditions (periodic boundary condition):

OS:

Advantage: allows the travelling wave

where

condition): OS: Advantage: allows the travelling wave where The periodic boundary condition permits only certain

The periodic boundary condition permits only certain discrete values of

5 69

.

B.

GROUND STATE CONFIGURATION

(1)

Electrons fill the energy states

Place electrons from the energy level

. Then continue to add electrons, subject to the Pauli

exclusion principle, and successively filling the energy levels of lowest energy that are empty.

filling the energy levels of lowest energy that are empty. (2) Fermi energy represents the sharp

(2)

Fermi energy

represents the sharp occupancy cut-off at

for particles described by the

Fermi-Dirac statitics, i.e. the energy levels of

are occupied subject to the Pauli exclusion

principle, and all those with

are empty.

 
 

Different boundary conditions give the same Fermi wave vector

and the same energy.

(3)

Fermi surface is the locus of points in reciprocal space where

For 1D metal, the Fermi surface is two points at

.

where For 1D metal, the Fermi surface is two points at . For 2D metal, the

For 2D metal, the Fermi surface is a circle.

where For 1D metal, the Fermi surface is two points at . For 2D metal, the

5 70

(4)

(4) For 3D metal, the Fermi surface is a sphere. The radius of the "sphere" is

For 3D metal, the Fermi surface is a sphere.

(4) For 3D metal, the Fermi surface is a sphere. The radius of the "sphere" is

The radius of the "sphere" is called the Fermi wave vector

.

Ground state energy

The total number of occupied states equal to the number of unit cells in the crytsal and the total

number of electrons

.

the number of unit cells in the crytsal and the total number of electrons . 1.

1. Box BC:

2. Periodic BC:

OS:

5 71

The ground state energy Average energy per electron is EXAMPLES: Typical value of metal Fermi

The ground state energy

Average energy per electron is

EXAMPLES:

Typical value of metal

Fermi energy:

Fermi temperature:

At room temperature we are not very far from the ground-state configuration.

5 72

 

5-3 Electron Density of States

Tuesday, December 20, 2011

8:30 PM

A.

DENSITY OF STATES

(1)

Density of States between and

: the number of energy states per unit volume in the infinitesimal range

.

states per unit volume in the infinitesimal range . (2) Surface integral   Since OS:  

(2)

Surface integral

 
infinitesimal range . (2) Surface integral   Since OS:   This form of shows that flat

Since

OS:

 

This form of

shows that flat bands have high density of states, and steep bands have low

.

(3)

Volume integral

 

B.

SIMPLE METALS

(1)

1D

and steep bands have low . (3) Volume integral   B. SIMPLE METALS (1) 1D 1.

1.

Countable

-values

5 73

2. Surface integral

3. Volume integral

(2)

2D

OS:

2. Surface integral 3. Volume integral (2) 2D OS: 1. Countable -values 5 第 74 頁

1. Countable

-values

5 74

2. Surface integral

3. Volume integral

(3)

3D

2. Surface integral 3. Volume integral (3) 3D 1. Countable -values 5 第 75 頁

1. Countable

-values

5 75

C.

2. Surface integral

3. Volume integral

FINITE TEMPERATURE EFFECT

(1)

Probability that a state with energy

is occupied at

is

Probability that a state with energy is occupied at is At , the system is at

At

, the system is at the ground state.

At

 

1. In the limit,

2. In the limit,

 

falls off exponentially with increasing

.

 

3. At

(2)

The total number of occupied states at the finite temperature

 

where

is the density of occupied states per unit volume and energy.

at the finite temperature   where is the density of occupied states per unit volume and

5 76

(3)

(3) At The majority of the electrons in a metal fill states with energy far below

At

The majority of the electrons in a metal fill states with energy far below the Fermi energy. Such

electrons have very little effect on the macroscopic properties. A small change in

mean energies of the majority of the electrons, with

compeltely filled, and remained. These electrons contribute nothing whatsoever to the macroscopic properties.

does not affect the

, since these electrons lie in states which are

affect the , since these electrons lie in states which are A relatively small number of

A relatively small number of electrons

is significantly different from

and

, centered on

, do contribute to the macroscopic properties.

in the energy range of order

, in which

The fraction of active electrons lie in the tail region is

where

is

the energy range of order , in which The fraction of active electrons lie in the

5 77

The integral can be approximated as

5 78

A.

5-4 Electronic Specific Heat

Tuesday, December 20, 2011

8:30 PM

SOMMERFELD EXPANSION

(1)

Internal energy

OS:

Cannot be integrated out, except the numerical method.

(2)

Sommerfeld expansion (Integration technique)

PROOF:

1.

Integration by parts

 

where

is the total number of states per unit volume whose energy is less than

 
 

2.

If the function

is slowly varying compared to

in the region

, we can expand

 

in Taylor series as follows:

3.

Let

5 79

B.

where in metal,

(3)

Internal energy

ELECTRONIC SPECIFIC HEAT

, the lower limit of the integral can be replaced by

.

(1) If a function is slowly varying around (2) Using the identity PROOF:
(1)
If a function
is slowly varying around
(2)
Using the identity
PROOF:

5 80

C.

The internal energy becomes

(3)

The electronic specific heat is

SPECIFIC HEAT OF METAL

(1)

The total specific heat of a metal at low temperature takes the form

where

is the eletronic specific heat and

is due to lattice vibrations. As the temperature is

reduced,

approaches zero far more rapidly than the eletronic specific heat.

EXAMPLES:

Low temperature specific heat of copper

far more rapidly than the eletronic specific heat. EXAMPLES: Low temperature specific heat of copper 5

5 81

(2)

Explain the following figure

1. Specific heat of metal

(2) Explain the following figure 1. Specific heat of metal 2. Specific heat of insulator &

2. Specific heat of insulator & metal

heat of metal 2. Specific heat of insulator & metal OS: James William Rohlf, Modern Physics

OS:

James William Rohlf, Modern Physics from

Strong experimental deviations from this number are observed for, for instance,

to

, Wiley, 1994.

,

, and

.

5 82

,

,

A.

5-5 Compressibility and Susceptibility

Tuesday, December 20, 2011

COMPRESSIBILITY

8:30 PM

(1)

The equation of state of a Fermi gas

where the grand canonical potential

(2)

The compressibility

is defined by

At

as

(3)

The velocity of sound in solid is given by

where

is the mass density.

5 83

B.

where

is the ionic mass and

is the number of electrons per atom

PAULI PARAMAGNETISM (1925: SPIN RESPONSE)

(1)

Susceptibility

 

where

is the magnetic moment and

is the magnetization

where

is the external field

(2)

In a metal,

 
1. 2. Apply an external field , energy levels shift
1.
2.
Apply an external field
, energy levels shift
1. 2. Apply an external field , energy levels shift At equilibrium, electrons in the shaded

At equilibrium, electrons in the shaded region (up spin) go into lower energy states (down spin) and flip spins. The number of down spins is larger than the number of up spins. Overall, this imbalance causes an overall magnetization.

is larger than the number of up spins. Overall, this imbalance causes an overall magnetization. At

At

as

5 84

C.

LANDAU DIAMAGNETISM (1930: ORBITAL RESPONSE)

(1)

In the presence of a magnetic field

and

The energy of a state is

The density of states is

The free energy is

(2)

At

Let

For large

, we use the Euler-Maclaurin formula

5 85

(3)

The total susceptibility of a metal is

5 86

 

6-1 Lorentz Theory

 

Tuesday, December 20, 2011

8:29 PM

A.

DRUDE MODEL (REVIEW)

(1)

Dc conductivity (Ohm's law)

where

is the electron concentration

(2)

Electronic thermal conductivity

 

(3)

Wiedermann-Franz law (1853)

B.

KINETIC THEORY OF ELECTRON GAS

 

OS:

 

Hendrik Antoon Lorentz (1853-1928) Since Drude's simple model gave some results that agree fairly well with experiment, Lorentz decided to use the full apparatus of kinetic theory to investigate the model more carefully. He did not succeed in improving on Drude's model, but he did make use of the Boltzmann distribution function and Boltzmann equation.

(1)

A statistical description of a system can be explained by distribution function

 

In thermodynamic equilibrium,

, where

is the local Maxwell-Boltzmann distribution.

(2)

An external force acting on an electron of mass

will change the velocity and position, i.e.

If no collisions take place between the electrons,

If collisions take place between the electrons, there will be a net difference in the interval rate of change between final and initial distribution function is called collision integral, i.e.

. The

As the limit

yields

 

where

is the non-equilibrium distribution function.

 

OS:

 

Non-equilibrium statistical mechanics

C.

LINEAR BOLTZMANN EQUATION

 

(1)

The total rate of change can be expanded as

6 87

D.

The Boltzmann transport equation can be written as

(2)

Relaxation time approximation Collisions relax the distribution back to the equilibrium distribution or a local equilibrium distribution exponentially with a single time constant

where

CONDUCTIVITY

is the thermal equilibrium distribution function and

is the relaxation time.

(1)

Dc conductivity

Electrons in the constant electric field

. The steady state Boltzmann equation

is

The electrical current density is

The electrical conductivity tensor is

The diagonal electrical conductivity is

OS:

Useful formula

a)

b)

Method 1:

6 88

(2)

Method 2:

Thermal conductivity

Electrons in a temperature gradient

The thermal current density is

The thermal conductivity tensor is

The diagonal thermal conductivity is

OS:

6 89

(3)

Wiedermann-Franz law

6 90

 

6-2 Boltzmann Equation

 

Tuesday, May 14, 2013

4:08 PM

A.

BOLTZMANN EQUATION

 

(1)

Non-equilibrium distribution function In thermodynamic equilibrium, the local electron distribution function is given by the Fermi-Dirac distribution.

When an external field is applied from outside, the electron distribution function is

.

(2)

Liouville [Liou-ville] equation

In the presence of an external field

[Liou-ville] equation In the presence of an external field The phase space volume along a stream

The phase space volume along a stream line in phase space is constant.

OS:

 

Since and

are independent, and the external fields are independent of

, we can have a

conservative form because (in the absence of collisions) motion (of particles or along the characteristics) is incompressible in the six-dimensional phase space

(3)

Boltzmann equation Liouville equation with scattering

 
equation Liouville equation with scattering   OS:   The idea behind the Boltzmann transport equation

OS:

 

The idea behind the Boltzmann transport equation is to divide the interactions of the particles into two parts. One part, due to macroscopic forces and potentials, is described by a Hamiltonian. The other part is due to the microscopic interactions between particlesthe collisions. The "external" interactions satisfy Liouville's theorem. The collisions "create" and "destroy" particles. That is, a particle undergoing a collision will "suddenly" disappear from its volume of phase space (it's been destroyed) and reappear (be created) in a different volume of phase space.

B.

RELAXATION-TIME APPROXIMATION

 

(1)

Relaxation time ansatz

If the external field creates a non-equilibrium distribution

, and the field is then suddenly

switched off, then from the moment

of switching off

 

6 91

(2) Scattering must serves to drive the non-equilibrium distribution back towards thermal equilibrium at .

(2)

Scattering must serves to drive the non-equilibrium distribution back towards thermal equilibrium at

. In the relaxation time approximation

time

where

The solution is

As The relaxation time

via scattering to the equilibrium state when the external perturbation is switched off.

is therefore the time constant with which the non-equilibrium distribution relaxes

Stationary non-equilibrium distribution

When the uniform external field distribution function is desired.

=constant is not zero (

distribution function is desired. =constant is not zero ( is the potential), the steady state Assume

is the potential), the steady state

Assume the applied field is small, the small deviation from thermal equilibrium is

The stationary distribution can therefore be represented by a Fermi distribution shifted by the equilibrium position.

EXAMPLES:

Ohmic conduction in solids

(a) Effects of the Fermi surface

6 92

(DC external electric field)

from

The great majority of the electrons cancel each other pairwise, electrons in the shaded area

The great majority of the electrons cancel each other pairwise, electrons in the shaded area remain uncompensated and produce the observed current.

(3)

(b) Effects of the distribution function

current. (3) (b) Effects of the distribution function The new Fermi distribution in the vicinity of

The new Fermi distribution

in the vicinity of the Fermi energy.

only differs significantly from the equilibrium distribution

Relaxation back to equilibrium The stationary non-equilibrium distribution is represented as a displaced Fermi sphere.

1. Inelastic scattering