Dispersion

Forbidden frequency
 region
m
ka
  m sin
2

/a /a k
• The system is dispersive.
• There is an upper limit of m.
• The lattice acts as a low-pass filter.
• Transverse waves behave similar. 2

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 Velocity
1 1
sin ka sin ka

• Phase velocity, v p   a C 2 2
 v0
k m 1 1
ka ka
2 2
d 1
• Group velocity, vg   v0 cos ka
dk 2

• For long wavelength, v p  vg  v0

4C 2v0
• Cutoff frequency, m  
m a

Cutoff Frequency

• Sound velocity = 5000 m/s

• Interatomic spacing, a = 3.0 Å

2v0
• Cutoff frequency, m   5.3 1012 Hz
a

2
 Phase
un  Ae 
i kxn t 
 Ae 
i kna t 

i  k  n 1 a t 
un 1  Ae   eika un
i  k  n  2  a t 
un  2  Ae   ei 2 ka un

• Each oscillator’s phase differs from that of its nearest neighbors

by ka. Along the chain, when the cumulative phase changes by
2 radians, an entire wavelength has been traversed.
• At k = /a,
/ adjacent
dj t atoms
t have
h a phase
h difference
diff off , andd
oscillate in opposite directions.

First Brillouin Zone

• The dispersion is periodic in k with a periodicity of 2/a.

k
/a /a 0 /a 3/a

3
 Many Zones
• For   m, there are many possible values for k.
• Many possible solutions with many possible wavelengths.


k
/a /a 0 /a 3/a

Many Solutions
• More than one harmonic wave can be fitted to a given
arrangements of atomic displacements.
• Any possible harmonic motion of the atoms can be described
using a value of k within the first zone.

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 Frequencies above Cutoff
•   m 
m
ka
•   m sin
2
ka
  m  sin 1
2
k
/a /a
• ka must be a complex number
 k  kr  iki

i  k  ik  na t 
• un  Ae
 r i 
 Ae  r   ki na
e i k na t
 Solutions in this range
of frequencies must be damped.
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Frequencies above Cutoff

 1 1 1 1 1
•  sin  kr  iki  a  sin kr a cos iki a  cos kr a sin iki a
m 2 2 2 2 2

• We know
ei (ix )  e i ( ix ) e x  e  x
cos ix    cosh x
2 2
ei (ix )  e  i ( ix ) 1 e x  e x
sin ix    i sinh x
2i i 2
• Therefore,
h f

1 1 1 1 
sin kr a cosh ki a  i cos kr a sinh ki a   i (0)
2 2 2 2 m
10

5
 Frequencies above Cutoff
• Equating real and imaginary terms
1 1 
sin kr a cosh ki a 
2 2 m
1 1
cos kr a sinh ki a  0
2 2
1
• ki  0  cos kr a  0  kr a   , 3 , 5 ,
2

• Therefore,
 1 2  
 cosh ki a  ki  cosh 1  
m 2 a  m 
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Frequencies above Cutoff

ki
ki  0,   m
2  
 cosh 1   ,   m
a 
 m
• Waves with   m are
strongly attenuated.

• Example:
0 m 
/m=1.01  cosh1(1.01) = 0.1413
ki = 9.42  108 m1  waves are
attenuated by a factor 1/e
12

6
 Frequencies above Cutoff
• What happens to the ki
energy
gy of attenuated
waves?

0 m 

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Boundary Conditions
• So far, we have an infinite possible solutions.
• Boundary conditions limit the possible frequencies or
wavelengths
wavelengths.
• What is the number of atoms in the lattice?
→ Very large but finite.

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7
 Finite Lattice Atoms
• N atoms → usually very large.
• Two commonly used boundary conditions:
• Fixed
Fi d end:
d The
Th endd atoms
t are clamped
l d rigidly
i idl in
i place.
l
• Periodic: The displacement of the first and last atom in the
chain is assumed to be same.
1
N 2

3
1 2 3… N

15

Fixed End
1 2 3… N

u1  0 uN  0
• Standing wave solutions:
u ( x, t )  Aeikx e  it  Ae  ikx e it  (2 A cos kx)e it

• Not all values of k are

accepted!
─ Discrete set of
solutions.
•  = 2a cannot be excited.
L 16

8
 Allowed Modes
2L 2L 2L
•   2 L, , , ,  total (N  2) solutions.
2 3 N 2
 2 3 ( N  2)
• k  kn  , , , ,
L L L L
 2
• n  m sin , m sin ,
2( N  1) 2( N  1)
3 ( N  2)
m sin , , m sin
2( N  1) ( N  1)a
• Allowed k values are equally spaced but  values are not.

17

Periodic
n n+1 n+2 n+N

un  un  N
• Allows traveling waves to propagate.

• Even number of atoms • Odd number of atoms

1 2 12 1 2 11

•  = 2a can be excited. •  = 2a cannot be excited.

18

9
 Allowed Modes
L L L
  L, , ,  , , ( N even)
2 3 N /2
L L L
  L, , ,  , , ( N odd)
2 3 ( N  1) / 2

2 4 6 N
k  kn   , , , ,  , ( N even)
L L L L

2 4 6 ( N  1)
k  kn   , , , ,  , ( N odd)
L L L L

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Allowed States
• Very few atoms


m
3
2
1

k
/a 0 k1 k2 k3 /a

20

10
 Allowed States
• Many atoms


m

k
/a 0 /a

21

Density of States
g (k )dk  ?
g ( )d   ? 
m
d

k
/a 0 /a
dk

22

11
 Density of States
• Since k values are equally spaced,
N Na
g (k )dk  dk  dk
2 / a 2
Na dk
g ( )d   g (k )dk  d
2 d
ka d a ka dk 2 1
  m sin   m cos  
2 dk 2 2 d  m a cos(ka / 2)
N d
g ( )d  
 m cos(ka / 2)
N d
• For small frequencies, g ( )d  
 m 23

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