Solid state physics

Dr. Fatemah F. Al harbi

7th lecture
Phys 371 T, 4 Credit

3/110/2022
 Crystal Lattice
y j Vibrations

⚫ Atomic motions are governed by the forces exerted on atoms when they are displaced from their
equilibrium positions.
⚫ To calculate the forces it is necessary to determine the wave functions and energies of the electrons
within the crystal. Fortunately many important properties of the atomic motions can be deduced without
doing these calculations.
 The vibration of the atoms in a crystal lattice due to an increase in temperature are simple harmonic
vibrations.
 When the material is in equilibrium, the attraction forces are neutral with the repulsive forces, and then the
system has the least possible energy, so the equilibrium distance between the atoms becomes characteristic of
the arrangement of the atoms of a solid body in the normal state and is known as the lattice constant, which
varies from one element to another.
 Assuming that absolute zero is reached, then the atoms remain stationary in their resting places on the
dimensions xo, where they have the lowest energy, which is equilibrium energy E(X0). And the vibrating
atoms have vibrating frequencies that depend on the type of vibrating atoms.

distance u from its equilibrium position, so that it is: 𝑢 / 𝑎≪1

 We consider a single row of atoms separated by a distance of 2a in which each atom is shifted a small
 Crystal Lattice Vibrations

Considering the mutual effect between the atom and its nearest neighbor, i.e. the number
of coordination atoms, the change in energy of the atom during a two-way oscillation
around the equilibrium position X0 is:

DE = [𝐸 (𝑥𝑜 +𝑢) − 𝐸 (𝑥𝑜 )]+ [𝐸 (𝑥𝑜 −𝑢) − (1)

𝐸 (𝑥𝑜 )]
= 𝐸 (𝑥𝑜 +𝑢)+𝐸 (𝑥𝑜 −𝑢) −
(2)

2𝐸(𝑥the 𝑜)
Since changing the position of an atom relative to the other brings about an equal change in the
energy of the two atoms, calculated change in energy ∆𝐸 as a result of the movement of the
atom will become: 2∆𝐸

And since this change will be distributed over all the atoms next to the atom atomizing (the
number of
coordination atoms Z), so the change in the energy of one atom as a result of this vibration is:
 Crystal Lattice
y j Vibrations

2
= �𝐸 (𝑥𝑜 +𝑢)+𝐸 (𝑥𝑜 −𝑢) −2𝐸(𝑥𝑜) (3)
�
Using the Taylor expansion of the first and second
terms:
𝑢 𝜕𝐸
�(𝑥𝑜 +𝑢 𝑥𝑜 𝑢2 𝜕2 𝐸
=𝐸 + +
(4)

�)
1Ι 𝜕𝑥
+....
2
𝐸(𝑥 𝑜 −𝑢 2Ι 𝜕𝑥 2
− +
𝑥𝑜 2𝑢 𝜕
=) 𝐸
𝑢 𝜕𝐸
(`4)

𝐸
1Ι 𝜕𝑥 2Ι 𝜕𝑥 2
+....
 Crystal Lattice
y j Vibrations

And with those limits being satisfied with the release and compensation:

(5)

4
𝜕2 𝐸
Where:

𝛼 =
𝑍
𝜕𝑥 2
 Crystal Lattice
y j Vibrations

It is clear from the equation that the represents the change in energy for each atom is proportional to
the displacement square and therefore that energy represents potential energy. Since the motive force of the atom
F, is the first derivative of the potential energy with respect to displacement:

𝑑2
𝑢
𝑑𝑡
If the mass of the vibrating atom is m and its acceleration then:

𝑑2 2
𝑢
𝐹 = 𝑚.
(7)

𝑑𝑡
2
 Crystal Lattice
y j Vibrations

From 6 and 7 then:

𝑑2 𝑢
𝑑 𝑡2 = −
α
(8)

𝑚 .that
This equation demonstrates
𝑢 atoms are oscillated by a simple

𝑢 = 𝐴 cos 𝜔𝑡
harmonic motion and its simple solution is as follows:
(9)

Where A is the amplitude of vibration, 𝜔 is the angular frequency of motion

�
𝑚
where 𝜔 = �

How can you prove that: The vibration of atoms in a crystal lattice as a result of
raising their temperature is simple harmonic vibrations?
 Crystal Lattice
y j Vibrations

⚫ A lattice vibrational wave in a crystal is a repetitive and systematic sequence of atomic displacements of
longitudinal, transverse, or some combination of the two.
• An equation of motion for any displacement can be produced by means of considering the restoring forces
on displaced atoms.
• As a result we can generate a dispersion relationship between frequency and wavelength or between angular
frequency and wavevector.

• They can be characterized by

– A propagation velocity v
– Wavelength λ or wavevector
– A frequency v or angular frequency ω=2π v
 Monoatomic
yj Chain
⚫ The simplest crystal is the one dimensional chain of identical atoms.
⚫ Chain consists of a very large number of identical atoms with identical
masses.
⚫ Atoms are separated by a distance of “a”.
⚫ Atoms move only in a direction parallel to the chain.
⚫ Only nearest neighbours interact (short-range forces).
 Chain of twoy jtypes of atom

⚫ Two different types of atoms of masses M and m are connected by

identical springs of spring constant K;

• This is the simplest possible model of an ionic crystal.

• Since a is the repeat distance, the nearest neighbors
separations is a/2
 Chain of two ytypes
j of atom

⚫ ω (angular frequency) versus k (wavevector) relation for diatomic chains

•If the crystal contains N unit cells we would expect to find 2N normal modes of vibrations and this is the
total number of atoms and hence the total number of equations of motion for mass M and m.

• Normal mode frequencies of a chain of two types of atoms.

1. At A, the two atoms are oscillating in antiphase with their center of mass at rest.
2. At B, the lighter mass m is oscillating and M is at rest.
3. At C, M is oscillating and m is at rest.
 Chain of two ytypes
j of atom

⚫ As there are two values of ω for each value of k, the dispersion relation is said to
have two branches.

Optical Branch
Upper branch is due to the +ve sign of the
root.

Acoustical Branch
Lower branch is due to the -ve sign of
the root.

• The dispersion relation is periodic in k with a period 2π /a = 2π /(unit cell length).

• This result remains valid for a chain containing an arbitrary number of atoms per unit cell.
 Acoustic/Optical
yj Branches

⚫ The acoustic branch has this name because it gives rise to long wavelength vibrations - speed of
sound.

⚫ The optical branch is a higher energy vibration (the frequency is higher, and you need a
certain amount of energy to excite this mode). The term “optical” comes from how these were
discovered - notice that if atom 1 is +ve and atom 2 is -ve, that the charges are moving in
opposite directions.
⚫ You can excite these modes with electromagnetic radiation (ie. The oscillating electric fields
generated by EM radiation)
Transverse optical mode
y j for diatomic chain

Amplitude of vibration is strongly exaggerated!

Transverse acoustical mode
yj for diatomic chain