Professional Documents
Culture Documents
Lecture Notes
Applied Physics
Contents
List of Figures v
List of Tables vi
iii
1.14.1 Primitive Cell . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21
1.15 Crystal Systems . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22
1.16 Some General Definations . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23
1.17 Simple Cubic (SC) Structure . . . . . . . . . . . . . . . . . . . . . . . . . . . 23
1.17.1 Nearest Neighbor distance (d) . . . . . . . . . . . . . . . . . . . . . . 24
1.17.2 Total Number of Atom . . . . . . . . . . . . . . . . . . . . . . . . . . 24
1.17.3 Coordination Number . . . . . . . . . . . . . . . . . . . . . . . . . . 24
1.17.4 Atomic Packing Fraction . . . . . . . . . . . . . . . . . . . . . . . . . 24
1.18 Body Centred Cubic (BCC) Structure . . . . . . . . . . . . . . . . . . . . . 25
1.18.1 Nearest Neighbor distance (d) . . . . . . . . . . . . . . . . . . . . . . 25
1.18.2 Total Number of Atom . . . . . . . . . . . . . . . . . . . . . . . . . . 26
1.18.3 Coordination Number . . . . . . . . . . . . . . . . . . . . . . . . . . 26
1.18.4 Atomic Packing Fraction . . . . . . . . . . . . . . . . . . . . . . . . . 26
1.19 Face Centred Cubic (FCC) Structure . . . . . . . . . . . . . . . . . . . . . . 27
1.19.1 Nearest Neighbor distance (d) . . . . . . . . . . . . . . . . . . . . . . 27
1.19.2 Total Number of Atom . . . . . . . . . . . . . . . . . . . . . . . . . . 28
1.19.3 Coordination Number . . . . . . . . . . . . . . . . . . . . . . . . . . 28
1.19.4 Atomic Packing Fraction . . . . . . . . . . . . . . . . . . . . . . . . . 28
1.20 Diamond Structure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29
1.20.1 Total Number of Atoms . . . . . . . . . . . . . . . . . . . . . . . . . 29
1.20.2 Atomic Packing Fraction . . . . . . . . . . . . . . . . . . . . . . . . . 30
1.21 Structure of ZnS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32
iv
List of Figures
1.1 Experimental Setup of Photoelectric Effect . . . . . . . . . . . . . . . . . . . 3
1.2 (A) Relation between Photocurrent vs Potential (B) Maximum Photoelectron
Energy as a function of frequency for different metals . . . . . . . . . . . . . 4
1.3 One Dimensional Potential Box bounded by infinite potential energy barrier 11
1.4 Representation of QUBITS (0 or 1 or the superposition of the both states) . 14
1.5 Atomic arrangment in Crystalline, Polycrystalline and Amorphous materials 19
1.6 Lattice Points . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19
1.7 Basis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19
1.8 Crystal structure = Lattice + Basis . . . . . . . . . . . . . . . . . . . . . . . 20
1.9 Unit Cell . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21
1.10 Lattice Parameters . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21
1.11 Crystal Systems . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22
1.12 Cubic Structure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23
1.13 (A) Hardsphere unit cell representation, (B) Reduced-sphere unit cell, and (C)
Aggregate of many atoms for a Simple Cubic (SC) structure . . . . . . . . . 24
1.14 Coordination Number in SC Structure . . . . . . . . . . . . . . . . . . . . . 25
1.15 (A) Hardsphere unit cell representation, (B) Reduced-sphere unit cell, and (C)
Aggregate of many atoms for a Body Centred Cubic (BCC) structure . . . . 25
1.16 Nearest Neighbor distance in FCC Structure . . . . . . . . . . . . . . . . . . 26
1.17 Coordination Number in BCC Structure . . . . . . . . . . . . . . . . . . . . 27
1.18 (A) Hardsphere unit cell representation, (B) Reduced-sphere unit cell, and (C)
Aggregate of many atoms for a Face Centred Cubic (FCC) structure . . . . . 27
1.19 Nearest Neighbor distance in FCC Structure . . . . . . . . . . . . . . . . . . 28
1.20 Coordination Number in FCC Structure . . . . . . . . . . . . . . . . . . . . 29
1.21 Unit Cell of Diamond . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30
1.22 Top view of diamond unit cell with atomic positions . . . . . . . . . . . . . . 30
1.23 Nearest Neighbor Distance in Diamond Structure . . . . . . . . . . . . . . . 31
1.24 Zinc Blend Structure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32
1.25 Top View . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32
v
List of Tables
1.1 Some Photoelectric Work Functions . . . . . . . . . . . . . . . . . . . . . . . 3
1.2 Binary Number System . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15
1.3 Hexadecimal Number System . . . . . . . . . . . . . . . . . . . . . . . . . . 16
1.4 Difference between Crystalline and Amorphous Material . . . . . . . . . . . 18
1.5 Comparision Table . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31
vi
Module 1: Quantum Computing and
Crystal structures
1.1 Introduction
Quantum mechanics is a branch of Physics which is indispensable in understanding the
mechanics of particles in the atomic and sub-atomic scale. The motion of macro-particles
can be observed either directly or through microscope. Classical mechanics can be applied
to understand their motion and dynamics. However, classical mechanics failed to explain the
motion of subatomic particles like electrons, protons, neutrons etc.
Max Plank proposed the Quantum theory to explain Blackbody radiation. Einstein ap-
plied it to explain the Photo Electric Effect. In the mean-time, Einstein’s mass – energy
relationship (E = mc2 ) had been verified in which the radiation and mass were mutually
convertible. Louis de-Broglie extended the idea of dual nature of radiation to matter, when
he proposed that matter possesses wave as well as particle characteristics.
The classical mechanics and the quantum mechanics have fundamentally different ap-
proaches to solve problems. In the case of classical mechanics, it is unconditionally accepted
that position, mass, velocity, acceleration of a particle can be measured accurately, which of
course true in day to day observations. In contrast, the structure of quantum mechanics is
built upon the foundation of principles which are purely probabilistic in nature. As per the
fundamental assumption of quantum mechanics, it is impossible to measure simultaneously
the position and momentum of a particle, whereas in the case of classical mechanics, there
is nothing which contradicts the measurements of both of them accurately.
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Module 1 1.2. Photoelectric Effect
Classical physics assumed that radiation is emitted continuously by the matter with
smooth continuous spectrum of all possible energy levels. In 1900, Max Planck postulated
that the electromagnetic energy is emitted not continuously (like by vibrating oscillators),
but by discrete portions or quants. Quantum mechanics was born. Planck’s Law states that
the energy of light is proportional to the frequency, and the constant that relates them is
known as Planck’s constant (h). His work, led Einstein in determining that light exists in
discrete quanta of energy, and can be considered not only as a wave-like entity but also as a
particle, or photon, with the energy given by the Planck-Einstein relation
hc
E = hν = (1.1)
λ
Where ‘h’ is Planck’s constant (h = 6.626 × 10−34 J.s)
And ν, λ and c are the frequency, wavelength and speed of light wave, respectively.
Properties of Photon
1. A photon travels at a speed of light ‘c’ in vacuum. (i.e. 3 × 108 m/s)
2. It has zero rest mass i.e. the photon can’t exist at rest.
3. The kinetic mass of a photon is, m = E/c2 = h/cλ.
4. The momentum of a photon is, p = E/c = h/λ.
5. Photons travel in a straight line.
6. Energy of a photon depends upon frequency of the photon. The energy of the photon
does not change when photon travels from one medium to another.
7. Wavelength of the photon changes in different media. So, velocity of a photon is
different in different media.
8. Photons are electrically neutral.
9. Photons may show diffraction under given conditions.
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Module 1 1.2. Photoelectric Effect
in Figure 1.1. Light falling on a metal surface (the emitter) can release electrons, which
travel to the collector. The experiment must be done in an evacuated tube, so that the
electrons do not lose energy in collisions with molecules of the air. Among the properties
that can be measured are the rate of electron emission and the maximum kinetic energy of
the photoelectrons.
Material φ (eV)
Na 2.28
Al 4.08
Co 3.90
Cu 4.70
Zn 4.31
Ag 4.73
Pt 6.35
Pb 4.14
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Module 1 1.2. Photoelectric Effect
Figure 1.2: (A) Relation between Photocurrent vs Potential (B) Maximum Photoelectron
Energy as a function of frequency for different metals
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Module 1 1.2. Photoelectric Effect
The prediction by the wave theory of light failed to explain the Experimental outcomes
of Photoelectric effect.
E = hν (1.2)
hc
E= (1.3)
λ
In Einstein’s interpretation, a photoelectron is released as a result of an encounter with
a single photon. The entire energy of the photon is delivered instantaneously to a single
photoelectron. If the photon energy hν is greater than the work function φ of the material,
the photoelectron will be released. If the photon energy is smaller than the work function,
the photoelectric effect will not occur. This explanation thus accounts for two of the failures
of the wave theory: the existence of the cutoff frequency and the lack of any measurable time
delay.
If the photon energy hν exceeds the work function, the excess energy appears as the
kinetic energy of the electron:
KM ax = hν − φ (1.4)
A photon that supplies an energy equal to φ, exactly the minimum amount needed to
remove an electron, corresponds to light of frequency equal to the cutoff frequency ν c . At
this frequency, there is no excess energy for kinetic energy, so Equation 1.4 becomes:
φ
hνc = φ ⇒ νc = (1.5)
h
The corresponding cutoff wavelength λc
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Module 1 1.3. Dual Nature of Matter
hc
λc = (1.6)
φ
The cutoff wavelength represents the largest wavelength for which the photoelectric effect
can be observed for a surface with the work function φ.
h
λ= (1.7)
p
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Module 1 1.4. De-Broglie Hypothesis
Where ’p’ is the momentum and λ is the de - Broglie Wavelength associated with the particle.
1.4.1 Derivation
From Einstein’ Mass Energy Relation, we know
E = mc2 (1.8)
hc
E= (1.9)
λ
Lets equate Equation 1.8 and 1.9, we get
hc
mc2 =
λ
On solving, we can obtain the relation for λ as
h
λ=
mc
If the particle is moving with velocity ‘v’, we can replace ‘c’ by ‘v’
h
λ= (1.10)
mv
Interms of Momentum ’p’, Equation 1.10 can be written as
h
λ= (1.11)
p
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Module 1 1.5. Wave Function
3. Matter Waves travel faster than Light. We start with the equation
hν = mc2
(1.12)
mc2
⇒ν=
h
Lets substitute values of λ from Equation 1.10 and ν from Equation 1.12, we get
mc2 h
ω= ×
h mv
c2
⇒ω=
v
As Speed of any object can’t exceed the speed of light, we have ω > c.
ψ = A + iB
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Module 1 1.6. Time Independent Schrodinger Equation
ψ ∗ = A − iB
ψ ∗ ψ = |ψ|2 = A2 + B 2 (1.13)
3. the probability of finding a particle in between two points x1 and x2 will be given by
Z x2
P = |ψ|2 dx (1.14)
x1
∂ψ
= (−k) ψ0 cos(ωt − kx)
∂x
∂ 2ψ
2
= −k 2 ψ0 sin(ωt − kx)
∂x
Using equation 1.15;
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Module 1 1.6. Time Independent Schrodinger Equation
∂ 2ψ
= −k 2 ψ
∂x2
∂ 2ψ
⇒ + k2ψ = 0
∂x2
2π
Here k represent the Wave number and k = . Substitute value of k in the above
λ
equation.
∂ 2 ψ 4π 2
+ 2 ψ=0
∂x2 λ
h
Using de-Broglie equation, λ =
mv
∂ 2 ψ 4π 2 m2 v 2
+ ψ=0 (1.16)
∂x2 h2
If the total energy of the system is E which is the sum of Kinetic Energy and Potential
Energy
1
E = mv 2 + V
2
⇒ 2 (E − V ) = mv 2
⇒ m2 v 2 = 2m (E − V )
∂ 2 ψ 8π 2 m(E − V )
+ ψ=0
∂x2 h2
h h2
Lets introduce a parameter ~; ~ = ⇒ ~2 =
2π 4π
∂ 2 ψ 2m(E − V )
+ ψ=0 (1.17)
∂x2 ~2
Equation 1.17 is the time independent Schrodinger equation in One Dimension, and in 3
dimension, we will get,
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Module 1 1.6. Time Independent Schrodinger Equation
∂ 2 ψ ∂ 2 ψ ∂ 2 ψ 2m(E − V )
+ 2 + 2 + ψ=0 (1.18)
∂x2 ∂y ∂z ~2
2m(E − V )
∇2 ψ + ψ=0 (1.19)
~2
∂2 ∂2 ∂2
Where, ∇2 = + + , is called the Laplacian Operator.
∂x2 ∂y 2 ∂z 2
d2 ψn 2m
+ 2 (En − V ) ψn = 0 (1.20)
dx2 ~
Where En is the kinetic energy of electron in nth state and V is the potential energy.
Since the potential inside the box V = 0, we get
d2 ψn 2m
+ 2 En ψn = 0 (1.21)
dx2 ~
Where A and B are two arbitrary constants whose values will be determined by using
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Module 1 1.6. Time Independent Schrodinger Equation
r
2mEn
k= (1.23)
~2
For wave function ψn to be continuous, the wave function must vanish at x and L. So the
required boundary conditions are
nπ
sin kL = 0 ⇒ k = (1.26)
L
Hence expression for allowed Wave function is
nπ
ψn (x) = A sin x (1.27)
L
Allowed energy values can be calculated comparing equation 1.23 and 1.26
r
2mEn nπ
2
=
~ L
n2 h2
En = (1.28)
8mL2
The value of A can be calculated by applying normalization condition.
Z∞
ψn ∗ ψn dx = 1 (1.29)
−∞
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Module 1 1.7. Quantum Computing
ZL nπx
2 2
⇒ A sin dx = 1
L
0
ZL
1
2 2πnx
⇒A 1 − cos dx = 1
2 L
0
2
L
A 2πnx L
⇒ x − sin × =1
2 L 2πn 0
A2
⇒ ×L=1
2 r
2
⇒A=
L
r
2 nπx
ψn (x) = sin (1.30)
L L
1.7.1 Introduction
There are challenges that today’s systems will never be able to solve. For problems above
a certain size and complexity, we don’t have enough computational power on Earth to tackle
them. Solving complicated simulations, computation by Classical computers is a tedious
work. By classical computers it means the computer that we are using for our normal works.
However, a Quantum computer can come handy in solving these type of problems. Quan-
tum computer works on the principle of quantum interference and entanglement. Quantum
Computer are based on qubits which are more or less similar to bits that we use in classical
computers.
There are a few different ways to create a qubit. One method uses superconductivity
to create and maintain a quantum state. To work with these superconducting qubits for
extended periods of time, they must be kept very cold. Any heat in the system can introduce
error, which is why quantum computers operate at temperatures close to absolute zero, colder
than the vacuum of space.
In 2019, Sycamore Quantum Processor developed by Google Inc. completed a task in 200
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Module 1 1.8. Number system
seconds, would take a state-of-the-art supercomputer 10,000 years to finish. Thus, Google
claimed to have achieved quantum supremacy.
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Module 1 1.8. Number system
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Module 1 1.9. BIT and QUBITS
Hexadecimal 0 1 2 3 4 5 6 7 8 9 A B C D E F
Decimal 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
Byte: Bits are assembled into a group of eight to form a byte. A byte contains enough
information to store a single character.
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Module 1 1.10. Classical gates .vs. Quantum gates
1.9.2 QUBIT
A bit can only be either 0 or 1, qubit has value "0" and "1", like a bit or binary digit, and
according to quantum mechanics, can be a superposition of both. A qubit can hold more
information. For a system of n components, a complete description of its state in classical
physics requires only n bits, whereas in quantum physics it requires 2n complex numbers.
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Module 1 1.12. Introduction
Crystal Structure
1.12 Introduction
The branch of science which deals with the study of geometric form and other physical
properties of the crystalline solids by using X-rays, electron beam, and neutron beams is
called crystallography or crystal physics.
The solids are classified into two types crystalline and amorphous. A substance is said
to be crystalline, when the arrangement of atoms, molecules or ions inside it is regular and
periodic. Ex. NaCl, Quartz crystal. Though two crystals of same substance may look
different in external appearance, the angles between the corresponding faces are always the
same. In amorphous solids, there is no particular order in the arrangement of their constituent
particles. Ex. Glass.
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Module 1 1.13. Some Important Defination
1.13.2 Basis
Basis or pattern is a group of atoms, molecule or ions identical in composition, arrange-
ment and orientation. When the basis is repeated with correct periodicity in all directions,
it gives the actual crystal structure.
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Module 1 1.14. Lattice Parameters
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Module 1 1.14. Lattice Parameters
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Module 1 1.15. Crystal Systems
More space lattices can be constructed by atoms at the body centres of unit cells or at
the centres of the faces.
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Module 1 1.16. Some General Definations
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Module 1 1.17. Simple Cubic (SC) Structure
Figure 1.13: (A) Hardsphere unit cell representation, (B) Reduced-sphere unit cell, and
(C) Aggregate of many atoms for a Simple Cubic (SC) structure
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Module 1 1.18. Body Centred Cubic (BCC) Structure
1 × 43 πr3 4πr3 π
= 3 = = 0.52 ∼ 52%
a3 3(2r) 6
Figure 1.15: (A) Hardsphere unit cell representation, (B) Reduced-sphere unit cell, and
(C) Aggregate of many atoms for a Body Centred Cubic (BCC) structure
there are eight identical particles on the eight corners of the unit cell. However, this time
there is a ninth identical particle in the center of the body of the unit cell.
√
AD2 = 2a2 + a2 ⇒ AD2 = 3a2 ⇒ AD = 3a
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Module 1 1.18. Body Centred Cubic (BCC) Structure
√
3a
d = AE =
2
√
3a
r=
4
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Module 1 1.19. Face Centred Cubic (FCC) Structure
√
2 × 43 πr3 8πr3 3π
= 3 = = 0.68 ∼ 68%
a3 3 4r /√3 8
Figure 1.18: (A) Hardsphere unit cell representation, (B) Reduced-sphere unit cell, and
(C) Aggregate of many atoms for a Face Centred Cubic (FCC) structure
The face-centered cubic unit cell also starts with identical particles on the eight corners
of the cube. But this structure also contains the same particles in the centers of the six faces
of the unit cell, for a total of 14 identical lattice points.
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Module 1 1.19. Face Centred Cubic (FCC) Structure
√
AC = a2 + a2
√
AC = 2a
√
2a = 4r
√
2a a
r= = √
4 2 2
AC a
Nearest Neighbor distance (d) = = √
2 2
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Module 1 1.20. Diamond Structure
√
Lattice constant a = 2 2r
Number atoms in unit cell = 4
4
4 × πr3 16πr3 π
3
3
= √ 3 = √ = 0.74 ∼ 74%
a 3 2r 2 3 2
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Module 1 1.20. Diamond Structure
Figure 1.22: Top view of diamond unit cell with atomic positions
r √
3a2 3 8r
= 2r ⇒ a = 2r ⇒a= √
16 4 3
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Module 1 1.21. Structure of ZnS
Structures
Parameters
SC BCC FCC Diamond
√ √
3a a 3a
Nearest Neighbor distance (d) a √
√2 2 √4
a 3a a 3a
Atomic Radius (r) √
2 4 2 2 8
Number of Atom in Unit Cell 1 2 4 8
Coordination Number 6 8 12 4
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Module 1 1.21. Structure of ZnS
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