5.

Lattice Vibrations
Solid State Physics
355

Introduction
Unlike

the static lattice model, which deals

with average positions of atoms in a crystal,
lattice dynamics extends the concept of crystal
lattice to an array of atoms with finite masses
that are capable of motion.
This motion is not random but is a
superposition of vibrations of atoms around
their equilibrium sites due to interactions with
neighboring atoms.
A collective vibration of atoms in the crystal
forms a wave of allowed wavelengths and
amplitudes.

Applications
Lattice contribution to specific heat
Lattice contribution to thermal
conductivity
Elastic properties
Structural phase transitions
Particle Scattering Effects: electrons,
photons,
neutrons, etc.
BCS theory of superconductivity

Normal Modes

x1

x2
u1

x3
u2

x4
u3

x5
u4

u5

Check this out...

http://www-users.york.ac.uk/~dmh8/cymatic/PhysicalModelling.htm

Consider this simplified system...

x1

x2
u1

x3
u2

u3

Suppose that only nearest-neighbor interactions are

significant, then the force of atom 2 on atom 1 is
proportional to the difference in the displacements of those
atoms from their equilibrium positions.

F21 C1 (u1 u2 )
and
F12 C1 (u2 u1 )

F32 C2 (u3 u2 )
and
F23 C2 (u2 u3 )

Net Forces on these atoms...

F1 C1 (u1 u2 )
F2 C1 (u2 u1 ) C2 (u2 u3 )
F3 C2 (u3 u2 )

Normal Modes
Mr. Newton... m

m
m

d 2u1
2

C1 (u1 u2 )

C1 (u2 u1 ) C2 (u2 u3 )

C 2 ( u3 u 2 )

dt
d 2 u2
dt
d 2 u3
dt

To find normal mode solutions, assume that each displacement has the sa
sinusoidal dependence in time.

ui ui 0e

it

Normal Modes
(C1 m 2 )u1 C1u2

C1u1 (C1 C2 m 2 )u2 C2u3 0

C 2 u 2 ( C 2 m 2 ) u3 0
C1 m 2
C1
0

C1
C1 C2 m 2
C2

0
C2
0
C 2 m 2

m 2 m 2 4 2(C1 C2 )m 2 3C1C2 u1 0

Normal Modes
1 0
1
2
2
1/ 2 1/ 2
2 (C1 C2 ) (C1 C2 C1C2 )
m
1
2
2
1/ 2 1/ 2
3 (C1 C2 ) (C1 C2 C1C2 )
m

Brillouin Zones
The value of the Brillouin
Zone is that it gives a
vivid geometrical
interpretation of the
diffraction condition:
2

k2

2 k G G

k1

1G
2 D

1G
2 C

We divide both sides by 4

2
1
1
to get,
k G G

Brillouin Zones
The

first Brillouin zone is defined to be the

Wigner-Seitz primitive cell of the reciprocal
lattice.
Or, it could be defined as the set of points in k
space that can be reached from the origin
without crossing any Bragg plane.
The second Brillouin zone is the set of points
that can be reached from the first zone by
crossing only one Bragg plane.
The n th Brillouin zone can be defined as the
set of points that can be reached from the
origin by crossing n - 1 Bragg planes, but no
fewer.

Wigner-Seitz Primitive Cell

How can we choose primitive cells?
One algorithm is the Wigner-Seitz
cell.
Steps:
(1)Draw lines to connect a given
lattice point to all nearby lattice
points
(2) At the midpoint and normal to
these lines, draw new lines
(or planes in 3D)
(3) The smallest area (or volume in
3D) enclosed in this way is the
Wigner-Seitz primitive cell

Wigner-Seitz Primitive Cells

Brillouin Zones
BCC

Brillouin Zones

Brillouin Zones

Back to Normal Modes

Longitudinal Wave

Transverse Wave

Back to Normal Modes

m

d 2 u2
dt

C (un 1 un ) C (un 1 un )
C (un 1 un 1 2un )

ui ui 0 e

it

un 1 ueinqa e iqa

Traveling
wave
solutions

m 2 ueinqa C [ei ( n 1) qa ei ( n 1) qa 2einqa ]

iqa
m 2 C [e1iqa4 2
e43
2]
2cos qa

2C

1 cos qa
m
2

Dispersion
Relation

Dispersion Relation

4C / m

0.6

sin 12 qa
4C / m

First Brillouin Zone

What range of qs is physically significant for elastic waves?

un 1 ue

iqa

i ( n 1) qa

un 1 ue

inqa
un
ue

iqa

The range to + for the phase qa covers all

possible values of the exponential. So, only
values in the first Brillouin zone are significant.

First Brillouin Zone

There is no point in saying that two adjacent

atoms are out of phase by more than . A
relative phase of 1.2 is physically the same as
a phase of 0.8 .

First Brillouin Zone

At the boundaries q = /a, the solution

un ue

inqa

Does not represent a traveling wave, but rather

a standing wave. At the zone boundaries, we
have

un ue

in

(1)

Alternate atoms oscillate in opposite phases

and the wave can move neither left nor right.

Group Velocity
The transmission velocity of a wave packet is
the group velocity, defined as

2C

[1 cos qa ]
m
2

d
vg
dq
or
v g q ( q)

d
Ca 2
1 qa ]
v

[cos
g
2
4C
dq
m
1
[sin qa ]

Group Velocity

d
Ca 2
vg

[cos 12 qa ]
dq
m

Phase Velocity

The phase velocity of a wave is the rate at which the phase of the
wave propagates in space. This is the velocity at which the phase of
any one frequency component of the wave will propagate. You could
pick one particular phase of the wave (for example the crest) and it
would appear to travel at the phase velocity. The phase velocity is
given in terms of the wave's angular frequency and wave vector k by

vP
k is not necessarily the same as the
Note that the phase velocity
group velocity of the wave, which is the rate that changes in
amplitude (known as the envelope of the wave) will propagate.

Long Wavelength Limit

1 ( qa ) 2
cos
qa

When qa << 1, we can expand

2
so the dispersion relation becomes

C
2
[ qa ]
m
2

The result is that the frequency is directly

proportional to the wavevector in the long
wavelength limit.

v q

This means that the velocity of sound in the

solid is independent of frequency.

Force Constants
2

m
2

cos rqa

C p [1 cos pqa ]
p

cos( rqa ) dq 2

C p a [1 cos pqa] cos(rqa ) dq

p 0

and integrate

C
a

The integral vanishes except for p = r. So, the force constant at range pa

ma a 2
Cp
cos( pqa ) dq
2 a

for a structure that has a monatomic basis.

Diatomic Coupled
Harmonic Oscillators

m1
m2

d 2 un
2

C ( vn vn 1 2un )

C (un un 1 2vn )

dt
d 2 vn
dt

Diatomic Coupled
Harmonic Oscillators
m m2
2 C 1
C
m1m2

m1 m2

m1m2

2
1 cos qa
m1m2

For each q value there are two values of .

These branches are referred to as acoustic

and optical branches. Only one branch

behaves like sound waves ( /q const. For q0).
For the optical branch, the atoms are oscillating
in antiphase. In an ionic crystal, these charge
oscillations (magnetic dipole moment) couple to
electromagnetic radiation (optical waves).
Definition: All branches that have a frequency
at q = 0 are optical.