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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,)
Lutfi Universitas Jember
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.

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Normal Modes

x1 x2 x3 x4 x5

u1 u2 u3 u4 u5

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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 )
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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 
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
q

Longitudinal Wave

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q

Transverse Wave

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
2
d un
m 2
 C (un 1  un )  (C (un  un 1 ))
dt
 C (un 1  un 1  2un )
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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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     
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Dispersion Relation

 0.6

4C / m 
 sin 12 qa
4C / m

q
q

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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.
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
First Brillouin Zone

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 .

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
First Brillouin Zone

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.

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Group Velocity

d Ca 2
vg   [cos 12 qa]
dq m

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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.

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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.


Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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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
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Lattice Vibrations
Part II

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]
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
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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.

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
q = ±/a

q.
q

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Three Dimensions

i ( q  r t )
un  ue

Al Ge

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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.

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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.
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Phonon Scattering (Normal Process)
q1

q3 = q1 + q2

q2

q3 = q1 + q2 or q3 = q1 + q2 + G

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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


Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Measuring Phonons

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Measuring Phonons

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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Measuring Phonons

Other Techniques
• Inelastic X-ray Spectroscopy
• Raman Spectroscopy (IR, near IR, and visible light)
• Microwave Ultrasonics

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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.

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Heat Capacity

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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)

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Planck Distribution

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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)

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Planck Distribution

number of phonons in
energy level n

total number of phonons

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


Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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
Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Einstein Model

average
energy
per oscillator

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

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Einstein Model


let v 
k BT
dv 
and 
dT k BT 2

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Einstein Model
How did Einstein do?

T 

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
Einstein Model
How did Einstein do?

T 0K

Kuliah Fisika Zat Padat (Dr. Lutfi R,) Universitas Jember [TA 18/19/Genap]
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

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Solved Example

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NaCl – two atoms per prim
itive cell
6 branches:
1 LA
1 LO
2 TA
2 TO

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Latihan: [Tugas 4]

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