1D Diatomic Crystal

nth unit cell

a
Un-1 Vn-1 Un C Vn Un+1 Vn+1

𝑀1 𝑀2

(1)

(2)
Travelling Wave Solution

Eq. (1) and Eq. (2) give

(2 C - M12 ) A – C(1+) B = 0 (3)

-C(1+) A + (2 C - M22) B = 0 (4)

 (2 C - M12 ) A – C(1+) B = 0 (3)

-C(1+) A + (2 C - M22) B = 0 (4)

=
=0

(5)
 (5)

This is quadratic equation in whose solution is

(6)
 MATLAB Code
a=2.425.*10^(-10) %atomic separation at equilibrium in m
k=[-pi./a:pi./(100*a):pi./a]; %range of k values
C=33.8; %force constant in N/m
m=6.8.*10^(-26); %mass of small-atom in the diatomic chain in kg
M=13.*10^(-26); %mass of large-atom in the diatomic chain in kg
w1=sqrt(C.*(m+M)-C.*(sqrt(m.^2+M.^2+2*m*M*cos(k.*a))))./m.*M;
w2=sqrt(C.*(m+M)+C.*(sqrt(m.^2+M.^2+2*m*M*cos(k.*a))))./m.*M;
plot(k,w1,k,w2) % to make two plots on the same window
xlabel('k')
ylabel('\omega (k)')
title ('Dispersion Curve for Diatomic Linear Chain')
 13
x 10 Dispersion Curve for Diatomic Linear Chain
4

3.5

2.5
 (k)

2
M1=6.8.*10^(-26) Kg
1.5 M2=13.*10^(-26) Kg

0.5

0
-8 -6 -4 -2 0 2 4 6 8
k 9
x 10
 13
x 10 Dispersion Curve for Diatomic Linear Chain
3.5

2.5

2
 (k)

M1=12.*10^(-26) Kg
1.5
M2=13.*10^(-26) Kg

0.5

0
-8 -6 -4 -2 0 2 4 6 8
k 9
x 10
 13
x 10 Dispersion Curve for Diatomic Linear Chain
3.5

2.5

2
 (k)

1.5 M1=13.*10^(-26) Kg
m=13.*10^(-26) Kg
M2=13.*10^(-26) Kg
M=13.*10^(-26) Kg
1

0.5

0
-8 -6 -4 -2 0 2 4 6 8
k 9
x 10
 2 𝐶
ω = ¿
M1 M 2

At κ = 0

= 2 + =

=0  - =0

At κ =/a i.e. at 1st BZ

 13
Dispersion Curve for Diatomic Linear Chain

( )
x 10
1 1 4
2𝐶 +
M1 M 2

√
3.5
2C
M1 3

√ 2C2.5
M2
 (k)

2
m=6.8.*10^(-26) Kg
1.5 M=13.*10^(-26) Kg

0.5

0
-8 -6 -4 -2 0 2 4 6 8
k 9
x 10
 Forbidden Frequency Band

There exists a band of frequencies between and

in which the wave-like solution does not exist
and this is the characteristics feature of elastic
wave in diatomic lattice. The existence of this
band indicates that it is not possible to excite
vibrations of the frequency lying within this
band and for this reason, it is called forbidden
frequency band.
The width of the frequency band gap depends
upon the masses and of two atoms.
 For The forbidden frequency band disappears
and the two branches meet at κ = /a
 Results/Observation

 The allowed frequency range of propagation vector

consists of two branches: upper branch, called optical
branch and the lower branch, called the acoustic
branch. The acoustical branch looks qualitatively
similar to the dispersion relation for monoatomic
lattice, which the optical branch shows a different
types of wave motion.
Atomic Displacement in Two Branches
The physical difference b/w the two branches can be explained by
calculating the ratio A/B of amplitudes of two travelling waves for any
value of k.
There are following possibilities:

1. , both atoms will oscillate in the same phase.

2. , both atoms will oscillate out of phase.

3. atom A is at rest while atom B is oscillating.

4. atom A is oscillating while atom B is at rest.

As we have
=

( B =0
For acoustic branch

=1
This means that atoms vibrate in phase i.e. in the
acoustical branch, two masses move in the same
direction with equal amplitude as shown in figure.
For Optical Branch

=-

 This relation shows that the two masses move in the opposite
direction.