Kuliah FisikaZPadat Kuliah5 Vibrasi Kisi

Fisika Zat Padat
Dr. Lutfi Rohman
Kuliah Fisika
Kuliah Zat
Fisika Padat
Zat (Dr.
Padat Lutfi
(Dr. R,)R,)
Lutfi Universitas Jember
Universitas [TA
Jember 18/19/Genap]
[TA 18/19/Genap] 1
Quiz 2 (Waktu 50 menit)
1.
2.
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
2
Lattice Vibrations, Part I
Kuliah Fisika
Kuliah Zat
Fisika Padat
Zat (Dr.
Padat Lutfi
(Dr. R,)R,)
Universitas [TA
Jember 18/19/Genap]
[TA 18/19/Genap]
Introduction
Unlike the static lattice model, which deals with ave

rage positions of atoms in a crystal, lattice dynamics
extends the concept of crystal lattice to an array of
atoms with finite masses that are capable of motio
n.
This motion is not random but is a superposition
of vibrations of atoms around their equilibrium
sites due to interactions with neighboring atoms.
A collective vibration of atoms in the crystal forms
a wave of allowed wavelengths and amplitudes.
Applications
• Lattice contribution to specific heat

• Lattice contribution to thermal conductivity
• Elastic properties
• Structural phase transitions
• Particle Scattering Effects: electrons, photons,
neutrons, etc.
• BCS theory of superconductivity
Normal Modes
x1 x2 x3 x4 x5
u1 u2 u3 u4 u5
Consider this simplified system...
x1 x2 x3
u1 u2 u3
Suppose that only nearest-neighbor interactions are significant, then

the force of atom 2 on atom 1 is proportional to the difference in the
displacements of those atoms from their equilibrium positions.
F21  C1 (u1  u2 ) F32  C2 (u2  u3 )

and and
F12  C1 (u2  u1 ) F23  C2 (u3  u2 )
Net Forces on these atoms...
F1  C1 (u1  u2 )
F2  C1 (u2  u1 )  C2 (u2  u3 )
F3  C2 (u3  u2 )
Normal Modes
d 2u1
Mr. Newton... m 2
 C1 (u1  u2 )
dt
d 2 u2
m 2
 C1 (u2  u1 )  C2 (u2  u3 )
dt
d 2u3
m 2
 C2 (u3  u2 )
dt
To find normal mode solutions, assume that each displacement has the same
sinusoidal dependence in time.
it
ui  ui 0e
Normal Modes
(C1  m 2 )u1  C1u2 0
 C1u1  (C1  C2  m 2 )u2  C2u3  0
 C2u2  (C2  m 2 )u3  0
C1  m 2  C1 0
 C1 C1  C2  m 2  C2 0
0  C2 C2  m 2

m 2 m2 4  2(C1  C2 )m 2  3C1C2 u1  0 
Normal Modes
1  0
1

2  (C1  C2 )  (C1  C2  C1C2 )
m
2 2 1/ 2 1/ 2

1

3  (C1  C2 )  (C1  C2  C1C2 )
m
2 2 1/ 2 1/ 2

q
Longitudinal Wave
q
Transverse Wave
2
d un
m 2
 C (un 1  un )  (C (un  un 1 ))
dt
 C (un 1  un 1  2un )
13
d 2 un
m 2
 C (un 1  un )  (C (un  un 1 ))
dt
 C (un 1  un 1  2un ) Traveling wave
solutions
un  uei (t  nqa )
m 2ueinqa  C u [ei ( n 1) qa  ei ( n 1) qa  2einqa ]

m 2  C [eiqa  e iqa  2]
2cos qa
2C
  1  cos qa 
2
Dispersion Relation
m
2C  21   4C 21 
 
2
 2sin  2  m
qa  sin 2  qa
m     
Dispersion Relation
 0.6
4C / m 
 sin 12 qa
4C / m
q
q
First Brillouin Zone
What range of q’s is physically significant for elastic waves?
 iqa
un1  ue
i ( n 1) qa
un1 ue
 inqa
 e iqa
un ue
The range  to + for the phase qa covers all possible
values of the exponential. So, only values in the first
Brillouin zone are significant.
There is no point in saying that two adjacent atoms are

out of phase by more than . A relative phase of 1.2 
is physically the same as a phase of 0.8 .
At the boundaries q = ± /a, the solution
u n  ue inqa
Does not represent a traveling wave, but rather a stan-

ding wave. At the zone boundaries, we have
 in
un  ue  (1) n
Alternate atoms oscillate in opposite phases and the wa-

ve can move neither left nor right.
Group Velocity
The transmission velocity of a wave packet is the group

velocity, defined as
d
vg 
dq
or
v g   q(q)
2C
  2
[1  cos qa]
m
d Ca 2
4C v g   [cos 1 qa ]
 1
[sin qa] 2
dq m 2
m
Group Velocity
d Ca 2
vg   [cos 12 qa]
dq m
Phase Velocity
 The phase velocity of a wave is the rate at which the phase of the wave
propagates in space. This is the velocity at which the phase of any one
frequency component of the wave will propagate. You could pick one
particular phase of the wave (for example the crest) and it would appear
to travel at the phase velocity. The phase velocity is given in terms of
the wave's angular frequency ω and wave vector k by

vP 
k
 Note that the phase velocity is not necessarily the same as the group
velocity of the wave, which is the rate that changes in amplitude
(known as the envelope of the wave) will propagate.
Long Wavelength Limit
When qa << 1, we can expand cosqa  1  1 ( qa)2

2
so the dispersion relation becomes
C
  [qa]
2 2
m
The result is that the frequency is directly proportional
to the wavevector in the long wavelength limit.
This means that the velocity of sound in the solid is in

dependent of frequency. v  ωq
Force Constants
C p [1  cos pqa]
2
  2
m
p
a a
 cos rqa
m a 
2
cos(rqa ) dq  2  C p a [1  cos pqa] cos(rqa) dq
p 0
and integrate C
 2
a
The integral vanishes except for p = r. So, the force constant at range pa is
ma a 2
Cp  
2π a 
 cos( pqa) dq
for a structure that has a monatomic basis.

Diatomic Coupled
Harmonic Oscillators

q
d 2 un
m1 2
 C ( vn  vn 1  2un )
dt
d 2 vn
m2  C (un  un 1  2vn )
dt 2
25
26
27
28
29
Diatomic Coupled
Harmonic Oscillators
2
m1  m2  m1  m2 
 C
2

C  
 
2
1  cos qa 
m1m2  m1m2  m1m2
For each q value there are two values of ω.
These “branches” are referred to as “acoustic”


and “optical” branches. Only one branch
behaves like sound waves ( ω/q → const. For q→0).
For the optical branch, the atoms are oscillating
in antiphase. In an ionic crystal, these charge
oscillations (magnetic dipole moment) couple to
electromagnetic radiation (optical waves).
Definition: All branches that have a frequency

at q = 0 are optical.
q
Lattice Vibrations
Part II
Kuliah Fisika
Kuliah Zat
Fisika Padat
Zat (Dr.
Padat Lutfi
(Dr. R,)R,)
Universitas [TA
Jember 18/19/Genap]
[TA 18/19/Genap]
Three Dimensions
For each mode in a given propagation direction,
the dispersion relation yields acoustic and optical
branches:
• Acoustic
• Longitudinal (LA)
• Transverse (TA)
• Optical
• Longitudinal (LO)
• Transverse (TO) NaCl – two atoms per prim
itive cell
If there are p atoms in the primitive cell, there a
re 3p branches in the dispersion relation: 3 acou 6 branches:
stic and 3p -3 optical. 1 LA
1 LO
2 TA
2 TO
Counting
This enumeration follows from counting the number of

degrees of freedom of the atoms. For p atoms in N primi-
0tive cells, there are pN atoms. Each atom has 3 degrees
of freedom, one for each of the 3 directions x, y, and z.
This gives 3Np degrees of freedom for the crystal.
q = ±/a
q.
q
Three Dimensions

i ( q  r t )
un  ue
Al Ge
Quantization of Elastic Waves
The energy of an elastic mode of angular frequency  is
E n   n  12  
It is quantized, in the form of phonons, similar to the
quantization of light, as both are derived from a discrete
harmonic oscillator model.
 waves in crystals are made up of phonons. Ther-

Elastic
mal vibrations are thermally excited phonons.
Phonon Momentum
A phonon with a wavevector q will interact with particles, lik
e neutrons, photons, electrons, as if it had a momentum (the
crystal momentum)
 
p  q
• Be careful! Phonons do not carry momentum like photons do. They can
interact with particles as if they have a momentum. For example, a neutron
can hit a crystal and start a wave by transferring momentum to the lattice.
• However, this momentum is transferred to the lattice as a whole. The atoms
themselves are not being translated permanently from their equilibrium positi
ons.
• The only exception occurs when q = 0, where the whole lattice translates.
This, of course, does carry momentum.
Phonon Momentum
For example, in a hydrogen
molecule the internuclear H2 electron
vibrational coordinate
r1 r2 is a relative coordinat
e and doesn’t have linear r R r
momentum.
The center of mass coordin

ate ½(r1 r2 ) R Proton A
Proton B
corresponds to the uniform
mode q = 0 and can have li r1 r2
near momentum.
O
Phonon Momentum
 
p  q
Earlier, we saw that the elastic scattering of x-rays from the
lattice is governed by the rule:   
k  k  G
If the photon scattering is inelastic, with a creation of a pho
If the photon is absorbed, then
non of wavevector q, then
   
kk
 q kkG
Gq
Phonon Scattering (Normal Process)
q1
q3 = q1 + q2
q2
q3 = q1 + q2 or q3 = q1 + q2 + G
Measuring Phonons
   
k q  k G
reciprocal lattice vector
scattered neutron
phonon wavevector
(+ for phonon created, incident neutron
 for phonon absorbed)
Stokes or anti-Stokes Process

Measuring Phonons
Measuring Phonons
44
45
46
47
Measuring Phonons
Other Techniques
• Inelastic X-ray Spectroscopy
• Raman Spectroscopy (IR, near IR, and visible light)
• Microwave Ultrasonics
Heat Capacity
You may remember from your

study of thermal physics that
the specific heat is the amount
of energy per unit mass requir
ed to raise the temperature by
one degree Celsius. Q = mcT
Thermodynamic models give u

s this definition:
 U 
CV    Cv = yT+T3
 T V
electrons phonons
Heat Capacity
Equipartition Theorem:
The internal energy of a system of N particles is
3
2 Nk BT
Monatomic particles have only 3 translational d
egrees of freedom. They possess no rotational o
r vibrational degrees of freedom. Thus the aver
age energy per degree of freedom is
1
2 Nk BT
It turns out that this is a general result. The mean energy is sprea
d equally over all degrees
of freedom, hence the ter
minology – equipartition.
Heat Capacity
Heat Capacity
• Answer: You need to use quantum statistics to
describe this properly.
• Bosons and Fermions
– Bosons: particles that can be in the same energy state (
e.g. photons, phonons)
– Fermions: particles that cannot be in the same energy
level (e.g. electrons)
Planck Distribution
 Max Planck – first to come up wit

h the idea of quantum energy
 worked to explain blackbody radi
ation
 empty cavity at temperature
T, with which the photons are
in equilibrium
Planck Distribution
Einstein Model
1907-Einstein developed first reasonably satisfacto

ry theory of specific heat capacity for a solid
assumed a crystal lattice structure comprising N at
oms that are treated as an assembly of 3N one-dim
ensional oscillators
approximated all atoms vibrating at the same freq
uency (unrealistic, but makes things easier)
Planck Distribution
number of phonons in
energy level n
total number of phonons
all possible energy levels 0, 1, 2, etc.

Planck Distribution
 n  n   nhf
Fraction of Nn e n / kT e n  / kT small as n gets large

Phonons  
 
 
N e   n / kT
e
at energy n  n  / kT a constant
n
0 0 0
Planck Distribution
average
occupied
energy
level
  
1 1 1

n 0
x 
n
1  x
 e 
n 0
n
1  e
 e
n 0
 n  / k BT

1  e   / k BT

    n n    1 

x
 nn
nx
nx   
x  x 
x  x  1 x  
n 0 
 nn00  
x x   1  x 2
Einstein Model
average
energy
per oscillator
We have 3N such oscillators, so the total energy is
Einstein Model

let v 
k BT
dv 
and 
dT k BT 2
Einstein Model
How did Einstein do?
T 
Einstein Model
How did Einstein do?
T 0K
Einstein Model
The Einstein model failed
to identically match the be-
havior of real solids, but it
showed the way.
In real solids, the lattice

can vibrate at more than
one frequency at a time.
Answer: the Debye Model
Solved Example
65
66
NaCl – two atoms per prim
itive cell
6 branches:
1 LA
1 LO
2 TA
2 TO
67
68
Latihan: [Tugas 4]
69

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Fisika Zat Padat

Dr. Lutfi Rohman

Unlike the static lattice model, which deals with ave

• Lattice contribution to specific heat

Suppose that only nearest-neighbor interactions are significant, then

F21  C1 (u1  u2 ) F32  C2 (u2  u3 )

un  uei (t  nqa )

m 2ueinqa  C u [ei ( n 1) qa  ei ( n 1) qa  2einqa ]

There is no point in saying that two adjacent atoms are

At the boundaries q = ± /a, the solution

Does not represent a traveling wave, but rather a stan-

Alternate atoms oscillate in opposite phases and the wa-

The transmission velocity of a wave packet is the group

When qa << 1, we can expand cosqa  1  1 ( qa)2

This means that the velocity of sound in the solid is in

for a structure that has a monatomic basis.

For each q value there are two values of ω.

These “branches” are referred to as “acoustic”

Definition: All branches that have a frequency

This enumeration follows from counting the number of

The energy of an elastic mode of angular frequency  is

 waves in crystals are made up of phonons. Ther-

The center of mass coordin

Stokes or anti-Stokes Process

You may remember from your

Thermodynamic models give u

 Max Planck – first to come up wit

1907-Einstein developed first reasonably satisfacto

total number of phonons

all possible energy levels 0, 1, 2, etc.

Fraction of Nn e n / kT e n  / kT small as n gets large

We have 3N such oscillators, so the total energy is

In real solids, the lattice

Answer: the Debye Model

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