Chapter 1

Review of Quantum Mechanics

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 Topics
 Features of classical mechanics
 Wave-particle duality

 Postulates of quantum mechanics

 Schrodinger equation

 Quantum well problem

 Periodic boundary condition

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 Motivation
➢ To understand semiconductor devices, we need
to understand how electrons move in
semiconductors
➢ Electrons in semiconductors are described by
Quantum Mechanics
➢ So we need to have some basic knowledge of
quantum mechanics in order to understand how
electron moves in semiconductors.

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 Difference with Classical Mechanics

 In classical mechanics, the motion of

a particle is described by the space
coordinates (Cartesian, 17th Century)
x, y, z and time coordinate t.
 In classical mechanics, the space
coordinates and time coordinate x, y,
z, t can all be measured with an
accuracy limited by the accuracy of
the instrument.

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 Newton’s Law
 The motion of an electron is described by
expressing the coordinates (x,y,z) as a function of
time; say x(t), y(t), z(t). If you specify these functions,
then you know the motion of the particle.
 To find the motion of a particle, we need to solve
some equations. The equations are given by the
Newton’s law. 
d 2r 
m 2 =F
dt
 The force F is usually given by other laws such as
the law of gravitation and Coulomb’s law.

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 Topics
 Features of classical mechanics
 Wave-particle duality

 Postulates of quantum mechanics

 Schrodinger equation

 Quantum well problem

 Periodic boundary condition

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 Quantum Mechanics
 When the extent of the motion is getting smaller and
smaller, the classical mechanics is no longer valid.
 This occurs when the length scale is that of an atom.
Therefore in a semiconductor, the motion of electrons
should be described by quantum mechanics.
 To understand quantum mechanics, you need to
understand several experiments carried out around 1900
and the principle of “wave particle duality”.

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 Wave Particle Duality
 In quantum mechanics, there is
wave-particle duality. According
to wave-particle duality, light
wave has particle nature. The
light particle is called photon.
 Electron is a particle but it also
has wave nature.
 The wave-particle duality is
supported by the following
experiments.

Once and for all I want to know what I am

paying for. When the electric company tells me
whether light is a wave or a particle, I’ll write my
cheque
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 Experiments supporting Wave Particle Duality
 Electron wave interference experiment
 Electrons emitted from an electron gun
passing through two very close slits
 Electron appears in the screen as
particles, (bright spot)
 Distribution determined by
interference, like the interference
pattern of light. Electrons are like
waves, can have interference. It
interferes with itself.

https://www.youtube.com/watch?v=zKdoE1vX7k4
http://en.wikipedia.org/wiki/Wave%E2%80%93particle_duality

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 Black Body Radiation – “Energy is quantized”
 Black body radiation: Consider an object at a
Black Body
temperature T, the object always emits a spectrum
of electromagnetic radiation (light wave).
 The spectrum depends on the temperature of the
object.
 The features of the spectrum can only be explained
according to Planck by assuming that light wave is
emitted or absorbed in a quanta of energy which is
given by
Spectrum of black body
𝐸 = 𝑛ℎ𝑓 radiation

where f is the frequency of the light wave and and h

are Planck’s constants .
 If light wave does not have a particle nature, energy
should be emitted and absorbed continuously. This
cannot explain the spectrum shape
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Supplementary information available
 Photoelectric effect – “light is quantized”
 In the photoelectric experiment studied
by Einstein, optical radiation impinged
upon a material system
 Electrons were knocked out due to the
interaction of the light with electrons.
 Einstein found that the exchange of
energy again occurs in a quanta given by
the same expression.
 For a particular wavelength of light, only
the quanta of energy was transmitted to
the electrons regardless of the intensity
of the light beam.
 Light is absorbed in quanta (a particle
behaviour)
 Light can interfere (is a Wave)

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Supplementary information available
 Atomic Spectra
Electron
 The two experiments described above suggest
that light wave behaves as a particle in some Unstable
situations. orbit in
classical
 The observation of discrete lines in atomic
physics
spectra shows that the electrons inside atoms
occupy well defined discrete energy levels Nucleus

 At these energy levels, the electrons are stable

 These energy levels are stable orbit
 According to classical physics, electron Stable Orbit
circulating the nucleus is not stable. It radiates
energy and spiral down to the nucleus.
 In classical physics, atoms are not stable. There
is no stable orbit.

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 Stable Standing Wave Orbit
 The electron has wave nature. In the orbit,
the electron wave forms a standing wave.
 Standing wave is a stable oscillating pattern.
 So the electron wave is stable in the orbit.
And the orbit is stable
Standing wave forms
 Stable atoms suggest that electron is a stable orbit
wave.

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 Wave-particle duality
Louis de Broglie
1892-1987 At a ago of 32
(1924) "The fundamental idea of [my 1924 thesis] was the following: The
fact that, following Einstein's introduction of photons in light waves, one
knew that light contains particles which are concentrations of energy
incorporated into the wave, suggests that all particles, like the electron,
must be transported by a wave into which it is incorporated... My
essential idea was to extend to all particles the coexistence of waves
and particles discovered by Einstein in 1905 in the case of light and
photons." "With every particle of matter with mass m and velocity v a
real wave must be 'associated'", related to the momentum by the
equation:

ℎ ℎ 𝑣2
de Broglie wavelength: 𝜆= = 1− 2
𝑝 𝑚𝑣 𝑐

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 TPS question:
 In wave-particle duality, particle is wave and wave is particle. In
classical mechanics, particle is particle. What is the reason that
wave nature of a particle in classical physics does not show up?

Revision information available

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 We need New Mechanics to explain the
experiments!
 It is called Quantum Mechanics.
 Due to wave-particle duality, we need to use a wave to describe
a particle.
 What Quantum Mechanics use is a wave function.
 Wave has no accurate position.
 Particle is now a wave implying it has no accurate momentum
and no accurate position.
 Physical quantity can not be measured accurately due to the
wave-particle duality.

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 Topics
 Features of classical mechanics
 Wave-particle duality

 Postulates of quantum mechanics

 Schrodinger equation

 Quantum well problem

 Periodic boundary condition

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 Postulate of Quantum
Mechanics
 Below we introduce the postulates of
quantum mechanics
 Postulates are needed to build a theory. It
is the foundation of the theory
 Postulate is an assumption. It cannot be
proved. Theorem can be proved.
 Postulate is valid (accepted) when the
conclusions agree with experiments.
 QM must be true because we trust the IC
chips (built with semiconductor) in our
computers.

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 Three Postulates of Quantum Mechanics
 First: particles are described by wavefunction (x,y,z,t). It
is a complex function of x, y, z, t.
 Second: wavefunction is related to the probability of finding
the particle. It can be used to find the values of physical
variables such as position.

Probability= y (x, y, z,t) dxdydz

2

 Because the particle must be somewhere, the sum of

probability of finding a particle must be one. (Normalized)
  

    ( x, y , z , t )
2
dxdydz = 1
−−−
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Three Postulates of Quantum Mechanics
 Third: Physical Observables, Q, (any particle property
that can be measured) are represented by
mathematical operators, [Q], in quantum mechanics.
 The operator concept is useful in quantum mechanics
because all expectation values can be written in a
general form:

∞
𝑄 = ‫׬‬−∞ Ψ ∗ 𝑄 Ψ𝑑𝑥

Where Ψ ∗ is the conjugation of Ψ

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Common Observables and Associated Operators

Observable Symbol Associated Operator

Position x x
Momentum p ℏ 𝜕
𝑖 𝜕𝑥
Potential energy U 𝑈 𝑥
Kinetic energy K ℏ2 𝜕 2
−
2𝑚 𝜕𝑥 2
Hamiltonian H ℏ2 𝜕 2
− +𝑈 𝑥
2𝑚 𝜕𝑥 2
Total energy E 𝜕
𝑖ℏ
𝜕𝑡

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 Find the value of momentum and position
 To find the value of the physical observables, we need the
calculation


p x =   ( x, y, z , t )(−i ) ( x, y, z , t )dxdydy
*

−  to 
x

 px is the average value of the x-component of the

momentum of a wavefunction Ψ.
 For the position the expression should be

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 Measurement in Quantum Mechanics
 We calculate the average value of momentum and position from
the wave function.
 In quantum mechanics, physical values cannot
be measured
accurately. The measured value can change when a new
measurement is made.
 In measurement, we can measure many and many times to
determine the average value of the physical observable.
 The large number of measurements will give you a distribution of
values, the average of which is equal to the theoretical value.
 The wave function gives you a distribution of position of the
particle. When you measure the position many times, you find a
distribution of the position of the particle. (remember the double
slit experiment?)

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 Measurement in Quantum Mechanics
 In classical mechanics, you can carry out one single
measurement of the momentum and position of the
particle accurately.
 The quantum mechanical point of view does not agree
with your daily life experience,
 but the conclusion of quantum mechanics agrees with
experimental results, for example, discrete spectral lines
in atomic spectra.

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 Topics
 Features of classical mechanics
 Wave-particle duality

 Postulates of quantum mechanics

 Schrodinger equation

 Quantum well problem

 Periodic boundary condition

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 How to find the wavefunction
 Wavefunction contains all information
 How do we find the wavefunction?
 We need an equation to find the
wavefunction
 Answer is : Schrodinger equation.
 Solvingthis equation gives you the
Erwin Schrödinger
wavefunction

- 2 2 ¶
[ Ñ +U(r,t)]y (r,t) = i y (r,t)
2m0 ¶t

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 Time-independent Schrodinger equation
 When the external potential U is not time-dependent. That is,
U=U(r). The Schrodinger equation can be separated into two
equation by making the substitution.

 (r, t ) =  (r ) f (t )
 The time-independent Schrodinger equation is
−2 2
[  + U (r )] (r ) = E ( r )
2m 0
 and f(t) is given by f (t )
i = Ef (t )
t
 The time-dependent part f(t) has the following solution

f (t ) = e − iEt / 
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In this course, We only need to learn the time-independent
Schrodinger equation For electron motion in atom, in semiconductor,
the potential does not change with time. Time-independent eqt is
enough

− 2
[  + U (r )] (r ) = E (r )
2

2m 0
Please refer to supplementary note for the proof.

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Boundary condition
 Solution of differential equation Example:
requires boundary conditions dx(t )
=v
dt
 General solution is a linear
solution is x(t ) = vt + A
combination of solutions
A is an unknown constant determined
 Solution of the Schrodinger by the initial position
Equation requires boundary
A = x(t = 0)
condition
 Imposing the boundary condition,
we will find that the energy levels
are discretized.

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 Topics
 Features of classical mechanics
 Waveparticle duality

 Postulates of quantum mechanics

 Schrodinger equation

 Quantum well problem

 Periodic boundary condition

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 Example: Quantum Well
 Show how boundary condition lead to energy quantization

Supplementary information available

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 Quantum Well Problem
 Solve the time-independent Schrodinger equation in an
infinite quantum well to demonstrate how discrete
energy levels are obtained in quantum mechanics
 Consider a potential U(r), a function of coordinate z
only.
 U is independent of x and y. motion of the particle
along x and y are not affected by the potential U.
 The potential U(z) has the following form
 U(z)=0, when –a<z<a

 =∞, otherwise Infinite potential

 U is zero for a region between –a and a. And the well
potential energy is infinitely large outside this region.
 In places with infinite energy, we cannot find the
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Separate Equation for x, y and z
 Free particle equations for x-y
2
d2 2 d 2
− f ( x) = Ex f1 ( x)
2 1 − 2
f 2 ( y) = E y f 2 ( y)
2m0 dx 2m 0 dy

 Particle free to move, no potential

 For z, particle is confined by the

potential U
 2 d 2 
− 2
+ U ( z ) f 3 ( z ) = E z f 3 ( z )
 2m0 dz 

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 Boundary Condition

Boundary condition
y (z=-a)=0
y (z = a) = 0
We cannot find the particle at the barrier
because there is infinite in energy

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 Inside the well, we find the solution to the equation
d 2 2mE
2
= − 2

dz
it can be eikz or e−ikz
sin(kz ) or cos(kz )

1 n z
f 3 ( z) = cos( ) N is odd
a 2a
Z direction
wavefunction
1 n z
f3 ( z ) = sin( ) N is even
a 2a

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 Normalization

The total probability of finding the particle

must be one inside the well
a
  dz = 1
2
−a

1
this gives the normalization constant
a

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 Energy Levels

 Energy of the energy levels

 2 2 n 2  2 2 n 2
Ez = En = 2
= 2
; W = 2a
8m0 a 2m0W

 There are infinite number of bound states labelled by a quantum

number n=1,2, 3, 4,…….. Each bound state is a discrete energy
levels with energy determined by the value of n.
 As n is discrete the energy is discretized

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 Quantum number
 The parameter n is called a quantum number
 it is a number used to identify an energy level or a bound
state.
 specify the quantum number, we specify the energy level or
bound state
 we may need more than one quantum number for its
identification

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 Summary
 Boundary condition ----- quantization, energy, momentum etc.
 Quantized quantity, such as energy, is labelled by an integer:
quantum number
 Quantum number is the origin of quantum of energy

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 Topics
 Features of classical mechanics
 Waveparticle duality

 Postulates of quantum mechanics

 Schrodinger equation

 Quantum well problem

 Periodic boundary condition

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 Need for New boundary condition
 We looked at fixed boundaries in the quantum well problem : wave
function is zero at the boundary
 The wavefunction is a standing wave, the electron bounces
between two walls; the electron does not move from one point to
one point.

1 n z
a standing wave wave function f3 ( z ) = cos( )
a 2a

 In semiconductor devices, electrons move from one contact to

another contact. This does not agree with the fixed boundary
condition

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 Periodic boundary condition
 So, we need New kind of boundary: periodic boundary
condition.
 It is closer to reality! REALITY is: electrons moves in solid!!
they are like free electrons.
 We need to normalize free electrons. This is used in finding the
number of energy levels in a solid( semiconductor) in a later
lecture.
 Schrodinger equation for a free particle moving along the x-
direction only 2
d2
- f (x) = Ex f1 (x)
2 1
2m0 dx
 Solution is f1 ( x) = eik .x

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 Periodic boundary condition

• The solution has the modulus equal to 1 and therefore

cannot be normalized. 2
 


−
eik . x dx =  1 dx = 
−

• How can we solve the problem?

• We assume that the particle can only move in a region
of length Lx and the wavefunction should satisfy the
periodic boundary condition.

f 1 ( x) = f 1 ( x + L x )
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 Periodic Boundary Condition
 Imagine the solid is bent into a ring and
connect the two ends
 Electron come out from one end go back
through the other end
 k must be some discrete values to satisfy
the periodic boundary condition

eik ( x + Lx ) = eikx
 eikLx = 1
 kLx = 2n  k = 2n / Lx
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  To normalize it, we integrate the probability
density Lx 2

 dx = Lx
ik. x
e
0

 The normalized wave function should be

ik . x 2
e Lx
e ik . x
for  Lx
dx = 1
Lx 0

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 Reason for periodic boundary condition
 The main reason for the periodic boundary condition is that we
can have a moving wavefunction which can be normalized.
 the wavefunction can be used to described a particle with
momentum
 The wavefunction is a travelling wave
 Good for device description: electron is moving in the device

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 Question
 Name the two strangest thing you find in quantum mechanics
and explain why you think so.
 So why we still believe it is correct theory?

Two more examples in supplementary information

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 Summary
 Boundary condition (fixed boundary)
 Energy quantized in bound system due to boundary condition

 Solve quantum well problem as example

 Periodic boundary condition

 Good for moving electrons

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 Summary for Chapter
 Schrodinger equation (time-independent)
 Boundary condition, quantum well problem

 Periodic boundary condition for travelling wave.

 For description of electronic states in solid.

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