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Crystalline Lattice

Issues that are addressed in this chapter

include:

Monoatomic lattice

Two atoms per primitive basis

Quantization of the elastic waves

The phonon momentum

Inelastic scattering by phonons

EEE539 Solid State Electronics

Dispersion Relation Derivation

The assumption here is that the elastic response of the

solid is a linear function of the forces, which means that

the elastic energy is a quadratic function of the

displacement.

According to Hookes law, the total force on plane s is

caused by the displacement of planes (s-1) and (s+1),

i.e.

where C is a force constant between n.n. planes.

4.1 Monoatomic Lattice

( ) ( )

s s s s s

u u C u u C F + =

+ 1 1

u

s-1

u

s

u

s+1

M C

a

EEE539 Solid State Electronics

The equation of motion of plane s is then

For the case of a harmonic response in both space and

time, i.e when

we arrive at the following dispersion relation

The significant wavevectors are found from:

( )

s s s

s

u u u C

dt

u d

M 2

1 1

2

2

+ =

+

t i isKa

s

e ue t x u

e

= ) , (

( )

2

4

sin

Ka

M

C

= e

a K a

e e e

e

ue

ue

u

u

iaK a n K ia n i

iKa

isKa

Ka s i

s

s

/ /

' ) / 2 ( 2

) 1 (

1

t s s t

= =

= =

t t

+

+

EEE539 Solid State Electronics

A graphical representation of the dispersion relation is

shown in the figure below:

At the zone boundaries, the group velocity of the

waves is:

In the long wavelength limit Ka<<1, we have that the

velocity of the sound is independent of frequency, i.e.

e

K

t/a

t/a

0 ) 2 / cos( ) (

2

2

= t = =

e

=

t

M

Ca

K v

dK

d

v

s s

K v K a

s

M

C

= ~ e

EEE539 Solid State Electronics

4.2 Two Atoms per Primitive Basis

Dispersion relation derivation

For the case when there are p-atoms in the primitive

cell, there are 3p branches out of which:

- 3 = acoustical branches: 1 LA and 2 TA branches

- 3(p-1) = optical branches: (p-1) LO and 2(p-1) TO

The problem we consider now is of a diatomic lattice

with two atoms per basis with masses M

1

and M

2

v

s-1

u

s-1

v

s

M

1

C

a

M

2

u

s

EEE539 Solid State Electronics

The equations of motion are:

Again, for the case of harmonic response we arrive at a

following set of equations written in a matrix form:

The homogeneous set of equations has non-trivial

solutions when the determinant of the matrix is zero, that

leads to the following dispersion relation

( )

( )

s s s

s

s s s

s

v u u C

dt

v d

M

u v v C

dt

u d

M

2

2

1

2

2

2

1

2

2

1

+ =

+ =

+

( )

( )

0

2 1

1 2

2

2

2

1

=

(

e +

+ e

v

u

M C e C

e C M C

iKa

iKa

( ) | | 0 cos 1 2 ) ( 2

2 2

2 1

4

2 1

= + e + e Ka C C M M M M

EEE539 Solid State Electronics

The exact solutions to this equation can be found, but it

is simpler to consider the two separate cases when

Ka<<1 (long wavelength limit) and the case when

Ka=t (at the boundary)

(a) Case Ka<<1 (long wavelength limit)

In this first case the two solutions are of the form:

(b) Case Ka= t (at the boundary)

In this second case the two solutions are of the form:

( )

2 1

2 2

2

2

2 1

2

1

2

. / 1 / 1 2

M M

a K C

const M M C

+

~ e

= + ~ e

1

2

2

2

2

1

/ 2

/ 2

M C

M C

~ e

~ e

EEE539 Solid State Electronics

e

K

t/a

t/a

2

2

2

/ 2 M C ~ e

1

2

1

/ 2 M C ~ e

( )

2 1

2

1

/ 1 / 1 2 M M C + ~ e

2 1

2 2

2

2

2 M M

a K C

+

~ e

For Ka<<0 (long wavelength limit) and e=e

2

, we have:

One lattice wave to be moving against the other

lattice, i.e.

One can excite this mode with light waves optical

branch.

For Ka= t, we get that the two lattices are completely

decoupled from each other.

1 2

/ / M M v u =

EEE539 Solid State Electronics

4.3 Quantization of the Elastic Waves

The energy of lattice vibration a is quantized, and the

quantum of energy is called a phonon, in analogy to

photons for quantization of the electromagnetic waves.

The energy of an elastic mode of vibration describing a

state of n-phonons is given by:

To calculate the energy of the mode, one starts from the

harmonic approximation for the displacement

The energy in a mode then equals kinetic and

potential energy. The kinetic energy is given by:

t i isKa

s

e e U t x u

e

=

0

) , (

( ) e + =

2

1

n E

n

EEE539 Solid State Electronics

When equating the two expressions, we get:

To summarize, the amplitude of the oscillation U

0

is

proportional to the square root of the number of phonons

in a given mode.

( )

( )

2

0

2

8

1

2 2 2 2

0

2

1

2

2

1

n integratio temporal and spatial after

) ( sin ) ( cos . .

U V

t Kx U E K

dt

du

e

e e = =

( )

e

+

=

e = e +

V

n

U

U V n

) 2 / 1 (

2

0

2

0

2

8

1

2

1

2

1

EEE539 Solid State Electronics

4.4 The Phonon Momentum

In here we give the discussion that phonons do not

carry any momentum, but for all practical purposes, one

can consider that phonons are particles that have:

large momentum, and

small energy, on the order of 30 to 80 meV .

The equation that governs the conservation of momen-

tum is of the form:

where the sign is for the phonon creation/annihilation

(absorption) process and G is the reciprocal lattice

vector.

G k K k' + =

EEE539 Solid State Electronics

4.5 Inelastic Scattering by Phonons

The phonon dispersion curves e(K) are determined

via inelastic scattering of neutrons with the emission or

absorption of a phonon.

The angular width of the scattered neutron beam

gives information bearing on the lifetime of phonons.

The kinematics of the scattering of a neutron beam

by a crystal lattice are described via conservation of

momentum I conservation of energy:

n

k

n

M

k

M

k

2 2

'

2 2 2 2

G k K k'

= e

+ =

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