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5. Lattice Vibrations
5.1. Vibrations of one-dimensional monoatomic lattice
Consider a one-dimensional chain of atoms where each atom has mass m and is attached
to other atoms by mass less springs. Such a discrete arrangement of atoms constitutes a
non-homogeneous medium, which is distinguishes from a homogenous medium, wherein
the line of atoms is continuous without any breaks in between.
Consider the equilibrium state of the atoms when these are situated at equally spaced sites
represented by n – 1, n, n + 1 as shown in figure.

ks
n2 n 1 n n 1 n2

a state of equilibriu m x
zi
U n 2 U 2 n 2 U 2n U n1 U n 2

If u is the displacement of a spring with spring constant β, the force exerted by a spring
on an atom is given by F=βu
For net force on the nth atoms is
F = β (Un+1 – Un) – β (Un – Un-1)
fi
F = β (Un+1 – Un – 2Un)
Using the Newton’s second law, the equation of motion is written as
d 2U n
m   U n 1  U n 1  2U n        (1)
d t2
U n  U o exp i  t  Kna         ( 2)
Similarly, for Un+1 = Uo Exp [i(ωt – K (n + 1) a]
Un-1 = Uo Exp [i(ωt – K (n – 1) a]

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From equation (1) and (2) we get

– mω2 = β (eiKa – 3 + e-iKa) ; – mω2 = β [eiKa/2 – e-iKa/2]2
– mω2 = – 4β sin2 (Ka/2) ---------- sin2x = - 1/4 (eix – e-ix)2

4  Ka 
 sin  
m  2 
If Y and ρ denote the young modulus and mass density respectively, then Y = β a and ,

2 c Ka 2 Ka Y
 sin or    v s sin the sound velocity is v s 
a  2 a 2 

ks
4 Ka 2 Ka
Thus    sin  v s sin         (3)
m 2 a 2
The solution of equation (2) is possible only if ω is related to K as in equation (3) and is
platted as
first brilliouin zone


v g  max at Boundary
zi
 /a  /a

Fig1: Dispersion relation at long wavelength limit

Note: for non-dispersive relation vg = vp = vs
(i) At low frequencies K → 0 or high wave length.
2  Ka 
sin Ka/2 → Ka/2 ;  vs    vs K         (4)
fi
a  2 
or we introduce here the terms phase velocity and group velocity. The phase velocity of
the wave is defined as the rate of advance of a point of constant phase along the direction
as wave propagation and is given by vp = ω/K
The group velocity is defined as vg = dω/dK,
it now obvious from (4) that, in the long wavelength, each being equal to vs. An exactly
similar result is obtained for a homogenous and continuous line.

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(ii) At higher frequencies phase and group velocities are different and are obtained from
 2v s Ka d Ka
as v p   sin ; vg   vs cos
K Ka 2 dK 2
Thus, both vp and vg are functions of frequency. This is referred to as the phenomenon of
dispersion and the medium is called the dispersion medium. A similar phenomenon of
dispersion is encountered when light passes through a medium whose reflective index is a
function of frequency. For very long wavelength vp = vg = vs.
The dotted curve in figure (i).

ks
4
(iii) At frequency   which represent the maximum angular frequency of
m
2v s
vibrations equation (5) K = π/a or λ = 2a ; vp  , vg  0

Thus it follows from the above description that only the vibrations of frequency

4   2v s 
  or  can propagate through the lattice. Hence the lattice behaves as a low-
m  a 
zi
2v s
pass filter which transmits only if the frequency lies between zero and , using typical
a
values of a = 10-10 m and vs = 104 ms-1


1st BZ
2 nd BZ

2 - k 2 -  - k 1 o k1  k 2 2
fi
- k3 k3  K
-
a a a a

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(iv) Now consider the vibration motion in two lattice corresponding to any frequency

4
 , which lies in the vibrational range. A plot of the dispersion relation for the
m
values of K lying even beyond ± π/a is shown in figure.

1
a
2

ks The region of K-values where – π/a < K < π/a is known as the first Brillouin zone (BZ)
and is of utmost importance is dealing with periodic structure the region for which
– 2π/a < K < - π/a is the II B.Z. the third – 3π/a < K < - 2π/a and 2π/a < K < -π/a and so
on.
Note that the right half of the second Brillouin zone is similar to the left half region of the
first zone.
zi
fi

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5.2. Vibrations of one-dimensional di-atomic lattice

Consider a one-dimensional (linear) primitive lattice with basis consisting of two atoms
of masses m and M (m < M) which are placed alternatively along the x-axis with an
interatomic distance equal to a. figure shows the arrangement as

2n  3 2n  2 2n  1 2n 2n  1
  

ks U 2 n 3

Equation is
d 2 n2n


U 2 n 2 U 2n




U 2n11 U n1 U n 2


U n 3
zi
F2 n  m 2
  U 2n 1  U 2n 1  2U 2 n  
dt 
2  ------------(1)
d n 2 n 1
F2 n  M   U 2 n1  U 2 n  2U 2n 1 
dt 2 

Solution is. U2n = A exp i (ωt – 2Kna)
U2n+1 = B exp i (ω – (2n+1) Ka) ------------(2)
From equation (1) and (2) we get,
fi
2
2 1 1  1 1  4 sin 2 Ka
          
m M  m M  mM
Considering the expression for ω → ω+ we find that K → 0, sin Ka is negligible.

1 1 
   2   
m M 

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
if K  , sin Ka → 1 we have
2a

2
  - Optical Branch
m
similarly for K → 0 sin Ka ≈ Ka & ω → ω-

2
   ka - Acousting Branch
mM

ks

Near Electro Magnetic  
Wave Optical   0
branches 
2
 
m
Forbidden frequency band
2
 
M
Near Sound Wave  
Accoustica l   

mM branch

 K
zi
2 O

2a 2a
1st Brillouin Zone

Note: ω+ > ω-
2. For m = M A/B = -1 optical modes
A/B = +1

3m 6
3. If M = 2m then    2  2

fi
2m m

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Two Atoms per Primitive Basis

The phonon dispersion relation shows new features in crystals with two or more atoms
per unit primitive basis. Consider for example, the NaCl or diamond structures with two
atoms in the primitive cell. For each polarization mode in a given propagation direction
the dispersion relation ω versus k develops two branches, known as the acoustical and
optical branches. We have longitudinal LA and transverse acoustical TA modes and
longitudinal LO and transverse optical to modes show in figure (2).
If there are p atoms in the primitive cell, there are 3 p branches to the dispersion relation:

ks
3 acoustical branches and3p-3 optical branches. Thus, germanium and KBr, each with
two atoms in a primitive all, have the six branches: one LA, one LO, two TA and two
TO.
The numerology of the branches follows from the number of degree of freedom of the
atoms with p-atoms in the primitive cell and N primitive cells there are pN atoms. Each
atom has three degree of freedom, one for each of the x, y, z directions, making a total of
3pN degree of freedom for the crystal.
The number of allowed K values in single branches is just N for one Brillowin zone.
zi
Thus, the LA and two TA branches have a total of 3N modes, thereby accounting for 3N
of the total degrees of freedom. The remaining (3p-3) N degrees of freedom are
accommodated by the optical branches.
fi

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