Basic of quantum mechanics

Module 1

MKS 1
Planck's Idea of
Quantization
MKS 2
Limitations of Classical Theory

Blackbody Radiation
Stability of Atoms
Hydrogen Atom spectra
Photoelectric Effect
Compton Effect
Specific heat capacity of gas at low temperature

MKS 3
Limitations of Wiens
and Rayleigh-Jeans
equations

MKS 4
Let the intensity of emitted radiation

The experimental measurements of

shown in figure 1 for different values
of temperature T. These plots show
that
The distribution values of
frequencies is a function of
temperature of the black body
With the increase in
temperature, the total amount
increases
The position of the maximum
peak shifts towards higher
frequencies with increasing
equilibrium temperature
The classical electromagnetic theory or wave theory together with classical
thermodynamics does not explain the characteristics of the black body spectrum.
MKS 5
 peakT = 2.90 mm " K

peakis the wavelength at which the

curve peaks

T is the absolute temperature

The wavelength is inversely proportional

to the absolute temperature

As the temperature increases, the peak

Figure 1
short
wavelengths
MKS 6
Classical wave theory says that the electromagnetic radiation inside
the cavity of the black body at an equilibrium temperature(T) forms
the standing waves and the number of standing waves (possible
modes) can fit in the cavity depends on the wavelength

The number of possible modes in the cavity is large if the

wavelength is small. However, for large wavelengths the number of
possible modes is small

According to Rayleigh and Jeans, this increase in the number of

2 2 and also each of travelling waves

must be assigned an average kinetic energy KT, Where K is the

Boltzmann constant. This leads the following Rayleigh-Jeans law
MKS 7
Rayleigh-Jeans
law
Initial Classical attempt - Black
body radiation by Rayleigh-
Jeans law
The Rayleigh-Jeans law fits the
experimental data quite well at
long wavelengths and not
with smaller wavelength
Rayleigh Jeans law predicts
that even at ordinary
temperatures, objects should
emit intense ultraviolet light,
even more intense X-rays, and
still more intense gamma rays
The failure of the Rayleigh-
Jeans formula at short
wavelengths (high frequencies)

MKS 8
Planck's radiation
Formula

MKS 9
 2. In order for a particle to transit from one
1. The particles/oscillators
Assumptions used: quantum state to another, the particle has to
near the surface of the
absorb or emit energy. The difference in the
blackbody which emits the
energy between the initial and the final state in
blackbody radiation can only
the transition must be absorbed or emitted as a
have discrete values of
SINGLE quantum of energy. Smallest amount of
energy, En: En=nh , where n
energy involved is when the transition occurs
is a positive integer, is the
between two adjacent states: E = h .
frequency of the oscillating
particle, h is the
constant.
Particles can only have discrete
values of energy. Each energy value
Energy is quantized in steps of h corresponds to a quantum state of
One quanta of energy or radiation is the particle, represented by the
known as a photon corresponding quantum number

MKS 10
MKS 11
Average energy of an oscillator E = h /(eh kT

E( d h 3/ c 3 . d /(eh kT

radiation law or Modified

Rayleigh-Jeans law.
h
c Velocity of light
K Boltzmann constant 1.38 x
10-23 J/K
T- Absolute temperature

MKS 12
 Key points

A body that completely absorbs radiations of all wavelengths incident on it is referred to as a

blackbody

When such a body is heated, it emits radiations which we call as blackbody radiations

A cavity made out of hollow container of any material (iron or copper) with a narrow opening
and painted with lampblack in the inside portion gives a close approximation to a perfectly
blackbody

When any radiation fall on this hole, it enters the cavity, gets reflected by the wall of the cavity
and eventually get absorbed

Now if we heat the container at various temperatures, it will emit radiations of all the
frequencies( or wavelengths). So, the emitted radiation from a blackbody is a continuous
spectrum, i.e., it contains radiation of all the frequencies

MKS 13
Low Frequency
Radiation
The classical and
quantum expressions
for radiation from a
hot object are

MKS 14
de-Broglie hypothesis

MKS 1
 The light radiation behaves like a wave in inference,
diffraction experiments and polarisation. This is due to the fact
that two waves lie at same position at same time. Since it is
difficult for two particles to occupy the same position at the
same time, we conclude that radiation behaves like a wave.
The same radiation behaves like a particle in
photoelectric effect and Compton effect. Thus, the light
radiation has dual nature i.e., wave nature and particle nature.
de- Hypothesis
Louis de Broglie attempted to develop a theory of
radiation in terms of light quanta or photons. He was led to the
new conception of matter waves by the following
considerations:
Since radiation has been shown to possess dual nature, wave
and particle, matter must also possess dual nature

MKS 2
de-Broglie concept of matter waves
According to de- hypothesis, a moving particle is associated
with a wave known as de- wave.
This wave is also called matter wave and the wavelength of this wave is given by

called de-Broglie wavelength

m-mass of the particle,
v-velocity of the particle, p-momentum of the particle

MKS 3
Expression for de-Broglie wavelength

energy of a photon is given by

E=

E= .(1)

c- Velocity of light
- Wavelength of light

relation, E= mc2
Equation to (1) and (2)

.(3)

MKS 4
where mc=p is the momentum associated with the photon.
Consider a material particle (as well as to photon), of mass m moving
with velocity v, then de-Broglie wavelength of the wave associated with the
particle is given by

Momentum =mv
Therefore, de-Broglie wavelength of a particle is (4)

If K.E is the kinetic energy of the particle then

1mv2 2

K.E=E= =
2 m

K.E=

h
, .......................(5)
2mE

MKS 5
potential difference of V volts, the K.E acting on the particle is
K.E =eV
The de-Broglie wavelength associated with this particle

MKS 6
 Properties of matter waves
The lighter the particle, greater the wavelength associated
with it
Smaller the velocity of the particle greater the wavelength
associated with it

generated by the motion of particles. These waves are

produced whether the particles are charged or uncharged.
Wavelength is independent of charge. This fact reveals that
these waves are not electromagnetic and they are new kind
of waves
The velocity of matter waves is not constant while velocity
of electromagnetic wave is constant
Velocity of matter wave is greater than velocity of light

MKS 7
Proof:
A particle in motion with an associated wave has two different velocities
Due to the mechanical motion of the particle v and

We know that E=
E=mc2

light) This is an unexpected result and this can be understood by assuming by

the wave velocity equal to phase velocity or group velocity.
The wave and particle aspects of moving bodies can never appear together
in the same experiment
The wave nature of matter introduces an uncertainty in the location of
position of the particle because a wave cannot be exactly taken at a
particular point
If the wave is very large, the particle can be identified at a given point
whereas if the wave is small, the particle cannot be located easily.
MKS 8
MKS 9
 In Classical mechanics a moving particle at any instant has a fixed position in
space and definite momentum that can be determined if their initial values are known.
In quantum or wave mechanics, the particle is described in terms of wave packet
and the particle may be found anywhere within the x. packet. When the wave packet is small in

size the position of the particle may be fixed but its velocity becomes indeterminate becomes
the particle will spread rapidly.
If the wave packet is large, there is large indefiniteness in position but its velocity
can be fixed as determined. Hence, certainty in position leads to uncertainty in momentum
and vice versa.

Therefore, the product of uncertainties in determining the position and momentum can never be smaller than

MKS 10
Properties of
wavefunction

MKS 1
A well-behaved wave function in quantum mechanics must
be continuous, single-valued, and normalizable. It also needs to be
differentiable, and the probability density derived from it must
be interpretable. These conditions ensure the wave function can
represent physically meaningful quantum states.
Continuity:
The
be continuous everywhere. This means there are no sudden jumps or
breaks in the wave function or its spatial derivatives.
Single-valuedness:
For any given point in space and time, the wave function can only have
one value. This prevents ambiguity in describing the quantum state.
Normalizability:
The integral of the square of the wave function's absolute value over all
space must be finite and equal to one. This ensures that the probability of
finding the particle somewhere in space is equal to 1, a fundamental
principle of quantum mechanics.
Differentiability:
The wave function must be differentiable (at least once) with respect to
position and time. This allows for the calculation of quantities like
MKS 2
momentum and energy using operators.
1.
representing the variation of matter waves. It connects the particle nature and its
associated wave statistically.
2. The wave function associated with a moving particle at a particular instant of time
and at a particular point in space is related to the probability of finding the particle
at that instant and at that point
3. The probability 0 corresponds to the certainty of not finding the particle and Physical
probability 1 corresponds to the certainty of finding the particle. significance
of wave
=1, If the particle is present
=0, if particle is not present
4. The wavefunction is a complex quantity that cannot be measured
5. The probability of finding a particle at a particular region must be real and

The probability density is given by

6. It can be considered as probability amplitude since it is used to find the location of

the particle.

MKS 3
observable quantity and does not have any direct physical meaning. It is
a complex quantity.
x, y, z, t) = a +
ib x, y, z, t) = a ib.
x, y, z,
t 2 2
x, y, z, t) = (a + ib) (a ib) = a + b is a real quantity. However, this
can represent the probability density of locating the particle at a place in
a given instant of time.
x, y, z, t x, y, z, t x,
y, z, t 2
x, y, z, t)| is called the
probability density

MKS 4
MKS 5
MKS 6
MKS 7
MKS 8
For a three dimensional wave

MKS 9
equation

MKS 10
 Let
x,y,z -iwt
0(x,y,z)e

Differentiating eq

MKS 11
 i

We know
Time independent wave equation

MKS 12
Equation (4) in( 5)

2
2
i V ( (
2m t
H- Hamiltonian Operator
E- Energy Operator
Eigen value, Eigen function

MKS 13
MKS 14
Davisson and
Germer’s experiment

[Link] 1
Davisson and Principle
Germer’s Based on the concept of wave nature of matter
fast moving electrons behave like waves.
experiment Hence accelerated electron beam can be used
for diffraction studies in crystals.

[Link] 2
Construction
In their experimental arrangement
(in 1972) for electron diffraction,
Davisson and Germer’s accelerated
the electrons from a hot tungsten
filament F by maintaining steady
potential difference between F and
the plate P (Figure 1).
Intensity of scattered electrons

Fig.1
10 20 30 40 50 60
Direction of scattering indegrees

Figure (1).Experimental setup and Bragg’s reflection of electron waves at planes

of the crystal [Link] 3
1. Electron Gun:
•A heated filament (usually tungsten) emits electrons through thermionic emission.
• A high voltage accelerates these electrons towards the target.
•The filament is often coated with barium oxide to enhance electron emission.
2. Collimator:
•A perforated cylinder (collimator) is used to create a focused, narrow beam of electrons.
3. Target (Nickel Crystal):
•A nickel crystal serves as the target for the electron beam.
•The crystal structure of nickel is crucial for diffraction to occur.
4. Detector:
•A movable detector (electron detector) is placed at various angles to measure the intensity of the scattered electrons.
•A sensitive galvanometer is often used to measure the current produced by the detector.
5. Accelerator:
•The electrons are accelerated by a variable potential difference between the cathode and anode of the electron gun.
6. Experimental Setup:
•The entire apparatus is typically enclosed in a vacuum chamber to prevent scattering of electrons by air molecules.

[Link] 4
The experimental arrangement of the Davisson Germer experiment is discussed below:
•An electron gun comprising a tungsten filament F was coated with barium oxide and heated through a low voltage power
supply.
•While applying suitable potential difference from a high voltage power supply, the electron gun emits electrons which were
again accelerated to a particular velocity.
•In a cylinder perforated with fine holes along its axis, these emitted electrons were made to pass through it, thus producing a
fine collimated beam.
•The beam produced from the cylinder is again made to fall on the surface of a nickel crystal. Due to this, the electrons
scatter in various directions.
•The beam of electrons produced has a certain amount of intensity which is measured by the electron detector and after it is
connected to a sensitive galvanometer (to record the current), it is then moved on a circular scale.
•By moving the detector on the circular scale at different positions that is changing the θ (angle between the incident and the
scattered electron beams), the intensity of the scattered electron beam is measured for different values of angle of scattering.

From this experiment, we can derive the below observations:

•We obtained the variation of the intensity (I) of the scattered electrons by changing the angle of scattering, θ.
•By changing the accelerating potential difference, the accelerated voltage was varied from 44V to 68 V.
•With the intensity (I) of the scattered electron for an accelerating voltage of 54V at a scattering angle θ = 50º, we could see a strong peak
in the intensity.
•This peak was the result of constructive interference of the electrons scattered from different layers of the regularly spaced atoms of the
crystals.
•With the help of electron diffraction, the wavelength of matter waves was calculated to be 0.165 nm.
[Link] 5
Davison and Germer further investigated properly oriented crystals to observe if could be possible to interpret that
electron behave as waves of all wave lengths () as given by De-Broglie's hypothesis. They calculated the
wavelength of electron from the known accelerating potential V by applying the relation.

Result
Applying Bragg’s law
λ =2dsinθ
2x0.909x10-10xsin (90-25)=1λ or λ=1.648Å
According to de-Broglie electron wave

12.26
= = 1.668Å
54

As the two values are in good agreement, this experiment confirms the de-Broglie concept of matter
waves.
The wave length associated with the above equation agreed with the De-Broglie's prediction. Thus it is
confirmed that electron has a wave like nature because only a wave has wave length. The wavelength of
these electrons was of the order of 10-10m which is similar
[Link] to that of wavelength of X rays. So this all 6
confirm that electron can behave as wave.
 PLANE WAVES IN
PERIODIC MOTION

MKS 1
In a periodic potential, the solution to the Schrödinger equation for an electron can be
expressed as a Bloch wave, which is a plane wave modulated by a periodic
function. The Bloch wave function is given by:
ψ(r) = e(ikr) * Uk(r)
where:
•ψ(r) is the Bloch wave function.
•e(ikr) is the plane wave part, with 'k' being the Bloch wavevector.
•Uk(r) ): is a periodic function with the same periodicity as the potential.
•r: is the position vector.

This means the electron's wave-like behavior is described by a plane wave, but the
amplitude of this wave varies periodically due to the potential. This form of the
solution is a consequence of Bloch's theorem, which states that the solutions to the
Schrödinger equation in a periodic potential can be expressed in this way.
MKS 2
Significance of the Plane Wave in a Periodic Potential:
▪ This concept is fundamental to understanding how electrons propagate through a
crystal lattice.
▪ The plane wave part of the Bloch function describes the overall motion of the
electron, while the periodic function uk(r) accounts for the electron's interaction
with the lattice potential.
▪ The Bloch theorem leads to the concept of energy bands and band gaps, which are
crucial for understanding the electrical conductivity of materials.
Energy Bands and Band Gaps:
▪ When the Schrödinger equation is solved for an electron in a periodic potential, the
allowed energy values are not continuous but rather form bands.
▪ These bands are separated by energy gaps where no electron states are allowed.
▪ The band structure (the arrangement of energy bands and gaps) is a characteristic
property of a material and determines whether it is a conductor, semiconductor, or
insulator.

[Link] 3
 Applications of Schroedinger wave equation
Particle in one dimensional box
To calculate the energy of a particle enclosed in one dimensional potential box of
infinite length. Let us consider a particle of mass ’m’ moving along x-axis between
two rigid walls A and B at x=0 and x=a as shown in the figure(1).
∞ ∞

V m V

A B

X=0 X X=a
Figure (1): one dimensional potential well of infinite depth

[Link] 1
A particle is free to move between the walls. The P.E of the particle between
the walls is assumed to be constant because no force is associating on the
particle. Hence P.E=0

When the particle strikes any one of the walls, it gets reflects back since the
walls are perfectly rigid (no energy transfer). Hence the force acting on the
particle abruptly changes from zero to finite value within a distance of zero
with the wall. Hence the potential function can be defined as follows

V(x) =0, x<0.

V(X)=V0, 0≤x≤a
V(x)= 0, x>a
This potential function is known as square well potential.
[Link] 2
The particle cannot come out of the box. Also, it cannot exist on the walls
of the box. So its wave function ψ is 0 for x≤0 and x≥a. Now task is to
find the value ψ within the box i.e., between x=0 and x=a.

The Schrodinger wave function for the particle is given by

 2 2m( E − V )
+  = 0 ……(1)
x 2
 2

Since V=0 between the walls

 2 2mE
+ 2  = 0 ………(2)
x 2 

2mE
K2 =
2

 2
+ K2 = 0 …………(3)
x 2

This is the wave equation for a free particle inside a potential well.
[Link] 3
 The solution of above equation (3) is given by

 ( x) = A sin kx + B cos kx ............(4)

Here A and B are constants two unknown constants

The values of these constants can be obtained by applying boundary conditions as follows

i)ψ=0 at x=0, B must be zero

ii)ψ=0 at x=a, Ka must be an integral multiple of π

n
ψ(x)=Asinkx, where k= , n = 1,2,3
a
Now the wave function becomes
nx
Ψ(x)= A sin ...............(5)
a
n 2 2
2
From the above equation K = 2 ...........(6)
a

2mE 2mE
We know that K 2 = = 2
2 h
4 2
[Link] 4
 8 mE n  2 2 2

K = 2
= n

h a 2 2

n2h2
En= 2
.............(7)
8ma
Thus for each value of n the possible energy of the particle is given by Eq.(7). From
this we find that the total energy is quantized, n is quantum number. The value for A in Eq
a 
   dxdydz = 1
 
(5) can be obtained by normalization condition  0  . Since the particle is
inside the box of length a, the probability that the particle is found inside the box is unity.

  x dx = 1
2

[Link] 5
 nx
a

 dx = 1
2 2
A sin
0
a

2nx 
a
1
0 2 1 − cos
a   dx = 1

a
 A2  a 2nx 
   x − sin  =1
 2  2n a 0

A2 a 2
= 1, A =
2 a

The normalized wave function is

 2 nx

n =   sin

 a L
a

[Link] 6
 The wave functions ψn and the corresponding energies En, which are often called eigen
functions and eigen values respectively, describe the quantum state of the particle. The
electron wave function for the ground state and first two excited states of an electron in a
potential well are shown in Figure (2).

y z

Where,

n1 n n
k1 = k 2 = 2 k3 = 3
a , a , a

Ψ3 E3

Ψ2 E2

Ψ1 a E1
Figure (2). Energy levels
[Link] wave functions 7
(2). Energy levels and wave functions

From the above expression it is clear that a particle inside an infinitely deep
potential well can have only discrete set of values for energy. .i.e., the energy of the
particle is said to be quantized.
The discrete energy values are given by

2
E1= n=1
8ma 2
4 2
E2= = 4 E1 n=2
8ma 2
9 2
E3= = 9 E1 n=3
8ma 2
16 2
E4= 2
= 16 E1 n=4
8ma

In the above expressions ђ- should be replace as h.

[Link] 8
Schrodinger’s time-independent equation in an example of
a type of differential equation called an eigen value
equation. In general, can write an eigen value equation as
𝐹𝑜𝑝 𝛙=𝑓𝛙
The differential equation operator Fop operates on a
function ψ, and this yields a constant f times the function.
The function ψ is then called an eigen function of the
operator Fop and the corresponding value for f is called the
eigen value.

[Link] 9
 Course code Course title
BAPHY107 Physics of Semiconductor Devices
Pre-requisite None

Module:1 Basics of Quantum Mechanics 8 hours

Planck’s idea of quantization − Planck’s radiation formula − de-Broglie hypothesis and idea
of matter waves − Heisenberg uncertainty principle − Schrödinger wave equations − Time
dependent and independent forms − Particle in a 1-D box − Tunnelling effect.

Question bank
Descriptive question
S. Descriptive question Max
No. Marks
1. What is Planck’s quantization hypothesis? Write down the expression for the energy 5
density of an electromagnetic wave in a blackbody as postulated by Max Planck
2. Write down the expression for Planks black body radiation and using this explain low 10
frequency and high frequency regions in the black body spectrum.
3. What is an ultraviolet catastrophe in the case of Black Body radiation? Describe the 10
spectral features of a Blackbody at different temperatures. Why the Rayleigh-Jeans
model failed to explain the Black body spectrum at higher frequencies.
4. State the hypothesis which connects the wave-characteristics and particle- 10
characteristics of an electron. To support this hypothesis, describe an experiment, with
figures and equations that can conclusively validate this hypothesis
5. Explain the spectral energy density of black body radiation at lower frequencies as 5
assumed by Planck through his radiation law.
6. Discuss and analyse an experiment which proves the existence of matter waves with 10
proper diagram
7. Explain the Heisenberg uncertainty principle. Discuss why electrons cannot be confined 5
inside the nucleus.
8. Show that at low frequency Plank’s law becomes equivalent to the Rayleigh–Jeans law. 5
9. Write down the properties of a wave function that can describe a quantum mechanical 5
particle.
10. Obtain one dimensional Schrodinger’s steady-state wave equation for an electron 10
considering it as a de-Broglie wave.
11. Determine the time-independent Schrödinger wave equation and explain the 10
Hamiltonian operator's importance. What are matter waves
12. Derive the energy eigenvalues of a particle in an infinite one-dimensional potential 10
well. Further draw the ground state and first excited state wavefunction patterns for a
particle in an infinite one-dimensional potential box.
13. A perfectly elastic ball is constrained to move along a straight line inside a tube of 10
length L. Due to some block at 3/4th L the ball could not move beyond that point.
Derive the Eigen values and Eigen function for the ball.
 S. Numerical Type Questions Max.
No. Marks
1. A particle is moving in one-dimensional potential box (of infinite height) of width 50 Å. 5
Calculate the probability of finding the particle within an interval of 10 Å at the centre of the
box when it is in its state of least energy.
2. A particle is moving in a one-dimensional box of width10Å. Calculate the probability of finding 5
the particle within an interval of 1Å at the center of the box, when it is in its state of least
energy.
3. The position and momentum of 1 keV electron are determined simultaneously. If its position is 5
located within 1 Å, what is the percentage of uncertainty in its momentum?
4. What is the wavelength of the light absorbed when and electron in a linear molecule, 10 Å long, 5
makes a transition from the energy level, n=1 to n=2?
5. A 10 eV electron is incident on a potential barrier of height 25 eV and width 1 nm. (a) Calculate 5
the probability that the electron will tunnel through the barrier. (b) Repeat your calculation for a
width of 0.1 nm.
6. An electron with energy 5eV approaches a potential energy barrier of height (V) 10 eV and 5
thickness 1 nm. Find the tunnelling probability of the electron through the barrier.
7. Consider a particle of mass m = 9.11 × 10-31 kg (mass of an electron) approaching a potential 5
barrier of height V0 = 5 eV and width a = 2 × 10-10 m. The energy of the particle is E = 3 eV.
Calculate the Reflection and Transmission Coefficient. Based on the calculated reflected and
transmission coefficient values, comment on the existence of the particle with respect to the
potential barrier.
8. Determine the minimum uncertainties in the positions of the following objects if their speeds are 5
known with a precision of 1.0×10−3 m/s (a) an electron and (b) a bowling ball of mass 6.0 kg.
9. An electron with kinetic energy 9.00 eV is incident on a square potential barrier with height of 5
10.00 eV and width of 5 nm. Find its transmission probability. If a proton is to have the same
energy and transmission probability as an electron, what must the width of the barrier for proton
be relative to the barrier width encountered by an electron?
10. An electron is moving under a potential of 150V. Calculate the wavelength of the electron 5
waves?
11. What is the kinetic energy of an electron whose de-Broglie wavelength is 2500 Å. 5
12. An electron and proton are both accelerated through the same potential difference V. Compare 5
their de Broglie wavelengths.
13. Calculate the uncertainty in the velocity for a neutron if the uncertainty in its position is 605pm. 5
14. An atom typically exists in an excited state for about Δt=10−8s. Estimate the uncertainty Δ f in 5
the frequency of emitted photons when an atom makes a transition from an excited state with
the simultaneous emission of a photon with an average frequency of f=7.1×1014Hz . Is the
emitted radiation monochromatic?
15. A sodium atom makes a transition from the first excited state to the ground state, emitting a 5
589.0-nm photon with energy 2.105 eV. If the lifetime of this excited state is 1.6×10 −8 s, what
is the uncertainty in energy of this excited state? What is the width of the corresponding spectral
line?
16. A velocity measurement of an α-particle has been performed with a precision of 0.02 mm/s. 5
What is the minimum uncertainty in its position?
17. Assume that a proton in a nucleus can be treated as if it were confined to a one-dimensional box 10
of width 10.0 fm. (a) What are the energies of the proton when it is in the states corresponding
to n=1, n=2, and n=3 ? (b) What are the energies of the photons emitted when the proton makes
the transitions from the first and second excited states to the ground state?