Lecture 3 2021 Week 3

Quantum
mechanics
The Schrödinger equation is a linear
partial differential equation that governs
the wave function of a quantum-
mechanical system. It is a key result in
quantum mechanics, and its discovery
was a significant landmark in the
development of the subject.
Schrödinger’s equation
Wave Equation
 E = total energy of the particle

 V(x) is the potential energy of the particle
 m is the mass of the particle
 ħ is “modified Planck’s constant”
= h/2π
 This is the time-independent version
Derive Quantisation from
Schrodinger’s wave equation
Infinite Square Well

Before we start!
Infinite square well potential
More important results:
 In free space: position is completely
uncertain and momentum is completely
defined!
 Potential Barrier: FINITE PROBABILITY

THAT A PARTICLE WILL PENETRATE
THE BARRIER!!! => TUNNELING
(self study)
ENERGY BANDS
 Recall
from single electron
(Hydrogen) atom:
 ENERGY LEVELS
 ENERGY QUANTISATION
 NO TWO ELECTRONS CAN

OCCUPY SAME STATE
 QUANTUM NUMBERS
 FORBIDDEN ENERGY
Quantum Numbers
4. Spin quantum number (up/down)…
not here
1. Principal quantum number
2. Orbital quantum number
3.Magnetic quantum number

Now, what happens
with LOTS of atoms
 In a crystal, we don’t just get
energy levels forming, we get
energy BANDS!!
 EXTRAPOLATION OF
SINGLE ELECTRON
RESULTS!
 Also regions of allowed and
forbidden energy
Why bands?
 Consider two atoms coming

into proximity
 The outer electrons will interact
as the wave functions of the
electrons overlap
 So the SINGLE DISCRETISED
ENERGY LEVEL MUST SPLIT
INTO TWO ENERGY LEVELS!
 Why? => Pauli Exclusion
Principle is part of one of our
most basic observations of
nature!
Watch and learn
Probability density function of

an isolated hydrogen atom.
Overlapping probability
density functions
of two adjacent hydrogen
atoms
The splitting of the n=1 state

So what if we have LOTS
of atoms/electrons?
 In a crystal there are like… LOTS
of atoms!
 Imagine them all initially isolated
then slowly brought together and
interacting like in the previous
figure
 We still can have NO TWO
ELECTRONS WITH THE SAME
ENERGY
 So we get a split into LOTS AND
LOTS of energy levels
 SO MANY, that it’s a quasi-smooth
BAND of energies
Look!
 So, for example, let’s say there are 1019

atoms/electrons
 Also, let’s assume that at the equilibrium
interatomic distance, the width of the
allowed band is 1eV
 If the discrete energy states are
equidistant, then the levels are separated
by only 10-19eV!
 That’s not much… very small energy!
 This is a quasi-continuous energy
distribution
 For all intents and purposes: AN
ENERGY BAND!
How small is 10-19 eV
This will happen for all
the bands!
 Results in splitting into thick regions
of allowed and disallowed energies
Silicon is more complex
 In a real atom, the splitting is a bit

more weird (more complex crystal
structure and electron
arrangement)
 You need to understand it well
though: how n=3 level splits
 n=3 only since it is the outer
electrons that necessarily interact
 Note it is VALENCE electron
interaction that matters
Silicon Split
BANDGAP ENERGY
Onward!
 The formation of band gaps is

related to the movement of
electrons in a crystal
 This is a build up to our
understanding of how electrons
behave in a crystal lattice
 This allows us to understand
conduction in semi-conductors.
we’re getting there…
An Aside: k-Space
 E and k are related! And this

relationship is ALWAYS of interest
Consider a Silicon
Crystal Lattice
 At T=0K, all electrons are in the valence band,
 Eight valence e-’s surround each Si atom. They
are in their lowest energy state and directly
involved in the bonding
What happens above
T=0K
 Valence electrons jump the gap
into the conduction band!
We can also relate this
to the E vs k diagrams
Even more
interesting…
 Now, a semiconductor is
NEUTRALLY CHARGED
overall.
 So when an electron goes up
into the conduction band
(breaking its bond), a
“positively charged” EMPTY
STATE is created in the
original position!
HOLES!
 So, an electron leaves the

valence band, leaving behind a
POSITIVELY CHARGED
HOLE!
 This is something of a
conceptual construct.
 Imagine the “students-in-the-
seats” scenario:
 5 students, 6 seats
 Rightmost blank
STUDENT ON THE
LEFT SMELLS
 Each student moves, 1 by 1 to
the right
Equivalent to EMPTY SEAT MOVING LEFT,

Hence we model this as a positive charge!
The analogy holds in a
crystal
 An electron moving one way is like a
HOLE moving the other!
 This gives us an entirely NEW and

EQUALLY IMPORTANT charge carrier in
a crystal: THE HOLE
 We treat holes like real particles,
with momentum and a drift current.
 This is NOT such a novel concept!
Recall that current in a conductor is
typically regarded as the motion of
POSITIVE current and therefore
has a direction opposite to electron
flow
 Typically we well find that
considering hole motion (e.g.
current) is useful and necessary to
solve Semiconductor problems
Drift current, you say?
 Current is due to the NET FLOW OF

CHARGE
 Drift current is usually defined as
 N= volume density, vd = average drift

velocity, q = charge
 Instead of using average, we could also
sum over all positive charges:
Drift current is zero by
default
 Electrons are charged, so a net drift
would mean a drift current
 But the electron distribution in the
conduction band is an even
function of k with no force applied.
 Recall, k is related to MOMENTUM.
This means there are as many
electrons with a + momentum as a
– momentum on average.
 So the net drift current density in a
semiconductor with no V applied is
ZERO
K-space and Drift
Current
 NO NET DRIFT CURRENT!
What does the k
diagram look like?
 Recall the electrons we are
looking at are in the
CONDUCTION BAND, so
there are states they can move
into (empty states) if they gain
energy.
 So, if an external force is
applied, they can gain
MOMENTUM
 Recall, momentum is related to
k
Like this!
 If velocity is important, then so is MASS

 If we can do this for an electron, we can
do it for a HOLE TOO
TUT
 2.5,6,8,9,22,24,34(tunneling)
 3.18, 23,29, 30,
 GO CAREFULLY OVER THE
POTENTIAL WELL and FREE SPACE
PROBLEMS

Lecture 3 2021 Week 3

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Lecture 3 2021 Week 3

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Quantum

 E = total energy of the particle

Infinite Square Well

 Potential Barrier: FINITE PROBABILITY

 NO TWO ELECTRONS CAN

1. Principal quantum number

2. Orbital quantum number

3.Magnetic quantum number

 Consider two atoms coming

Probability density function of

The splitting of the n=1 state

 So, for example, let’s say there are 1019

 In a real atom, the splitting is a bit

 The formation of band gaps is

 E and k are related! And this

 So, an electron leaves the

Equivalent to EMPTY SEAT MOVING LEFT,

 This gives us an entirely NEW and

 Current is due to the NET FLOW OF

 N= volume density, vd = average drift

 If velocity is important, then so is MASS

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