Overview: Lecture 4

• Boundary conditions 
allowed states, quantization

• Density of states • Transverse vibration

Na
g (k )dk  dk
2 4Cl ka 4Ct ka
l  sin , t  sin
N d m 2 m 2
g ( )d  
 m cos(ka / 2)

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 Overview: This Lecture

• Diatomic lattice: m M

• Equations of motions  Solutions  Dispersion relations

• Acoustic and optical modes

Linear Diatomic Lattice

• The atoms can have masses m and M  Ionic Crystals.

• In a chain of 2N atoms, N have mass m, and N have mass M.

2n-2 2n-1 2n 2n+1 2n+2

C C C C
m M m M m

a a a a

u2n-2 u2n-1 u2n u2n+1 u2n+2

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 Interactions
• Equations of motions: • Vibrations:
 2u2 n u2 n  Aei (2 kna -t )
F2 n  m
t 2
 C  u2 n1  u2 n -1 - 2u2 n 
u2 n1  Bei[ k (2 n 1) a -t ]
 2u2 n 1 u2 n  2  Aei[ k (2 n  2) a -t ]  u2 n ei 2 ka
F2 n 1  M
t 2 u2 n -1  Bei[ k (2 n -1) a -t ]  u2 n 1e- i 2 ka
 C  u2 n  2  u2 n - 2u2 n 1 

a a a a

u2n-2 u2n-1 u2n u2n+1 u2n+2

Solutions
• Replacing the solutions in the equations of motion

 m - 2C  u  C 1  e  u
2
2n
- i 2 ka
2 n 1 0
C 1  e  u   M  - 2C  u
i 2 ka
2n
2
2 n 1 0

• Determinant must be zero 

m 2 - 2C C 1  e - i 2 ka 
0
C 1  ei 2 ka  M  2 - 2C

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 Solutions
m 2 - 2C C 1  e-i 2 ka 
0
C 1  ei 2 ka  M  2 - 2C

 2C - m  2C - M   - 4C
2 2 2
cos 2 ka  0
2C (m  M ) 2 4C 2 sin 2 ka
4 -   0
mM mM
C (m  M )  4mM sin 2 ka 
2  1  1 - 
mM  (m  M ) 2 

• Two separate branches of the dispersion relation:

• acoustical branch
• optical branch.
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Dispersion Relation
C (m  M )  4mM sin 2 ka 
2  1  1 - 
mM  (m  M ) 2 


2C (m  M ) / mM
Forbidden
frequency 
2C / m
range
2C / M

-

k
-/2a 0 /2a 8

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 Dispersion Relation
• The length of the cell is 2a, therefore, the edges of the first
Brillouin zone are at k =  /2a.
C (m  M )  4mM sin 2 ( a / 2a) 
-2 ( / 2a)   1 - 1 - 
mM  (m  M ) 2 
C (m  M )  (m  M ) 2 - 4mM 
 1 - 
mM  (m  M ) 2 
C (m  M )  M - m 
 1 - m  M 
mM
C ( m  M ) 2m

mM mM • Similarly,
2C
- ( / 2a)  2C
M  ( / 2a) 
m 9

Long Wavelength Limit

• k=0 C (m  M )  4mM sin 2 (0) 
-2 (0)  1 - 1 - 
mM  (m  M ) 2 
C (m  M )
 1 - 1  0
mM
- (0)  0

2 C (m  M )  4mM sin 2 (0) 

 (0) 
 1  1 - 
mM  (m  M ) 2 
C (m  M ) 2C (m  M )
 1  1 
mM mM
2C (m  M )
 (0) 
mM
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 Long Wavelength Limit
• k  0
2C (m  M ) 2 4C 2 sin 2 ka
4 -   0
mM mM
2C (m  M ) 2 4C 2 k 2 a 2
 
mM mM
2C
- (k )  ka
mM

• Phase velocity:
- 2C
v0  a
k mM
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Acoustic Branch
u2 n 1 C 1  e  B ika
i 2 ka

  e
u2 n 2C - M  2 A
B C e  e 
- ika ika
cos ka
 
A 2C - M  2
M2
1-
2C
• k  0,   0, u2n+1/u2n  1

• Neighboring atoms move in the same direction.

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 Optical Branch
2C ( m  M )
 (0) 
mM

B cos ka 1
 2

A M M 2C (m  M )
1- 1-
2C 2C mM
1 m
 -
mM M
1-
m

• Neighboring atoms move in opposite directions.

• Optical branch can be excited in ionic crystals.
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