Week3

EE211

EE211 Introduction to Physical Electronics

Lecture 3 – Introduction to Quantum
Mechanics(Chapter 2)

Shinhyun Choi
School of Electrical Engineering
Chap. 2 Principles of Quantum Mechanics

• Motivation

- We need quantum mechanics to understand the basic properties of

solids such as energy bands

• Contents
- Birth of Quantum Mechanics
- Schrödinger Equation
- Applications of Schrödinger Equation
- Real-world Examples
 Birth of Quantum Mechanics

• Blackbody Radiation
• Photoelectric Effect
• Matter Wave
• Hydrogen Atom
• Uncertainty Principle
 Inconsistency of Classical Theory
• Blackbody radiation – particle nature of light

Pictures from wikipedia.org “Rayleigh-Jeans catastrophe”

Experimental behavior of blackbody radiation could be explained only after

Planck introduced an assumption that light consists of energy “quanta” called
photons, 𝐸 = 𝑛ℎ𝑣 (𝑛: integer, ℎ: Planck constant, 𝜈: frequency)
 Photoelectric effect

𝑇𝑚𝑎𝑥 = ℎ𝜈 − Φ
Work
function

Conceptual Physics by P. Hewitt

• Whether the plates emit electrons or not depends on the wavelength of the light
• Kinetic energy of emitted electrons depends linearly on the frequency of the light,
but not on the intensity of light
• Light behaves like particle having discrete energy with energy quantum 𝐸 = ℎ𝜈
 Emergence of Early Quantum Theory

• Matter wave – wave nature of a particle

Light seems to have a dual nature: particle-like nature of wave.
Why not for particles? Could matter (e.g. electrons), be wavelike?

• Lesson from the case of photon

In the theory of special relativity by Einstein,

𝐸 = 𝛾𝑚0 𝑐 2 = 𝑚02 𝑐 4 + 𝑝2 𝑐 2 where 𝛾 = 1Τ 1 − 𝑣 2 Τ𝑐 2

For a photon, which has zero rest mass (i.e. 𝑚0 = 0), 𝐸 = 𝑝𝑐

A photon has energy 𝐸 = ℎ𝜈
𝑐 ℎ De Broglie’s idea:
𝐸 = 𝑝𝑐 = ℎ𝜈 = ℎ ⇒ 𝑝 = Why don’t we generalize this to a
𝜆 𝜆
particle ?
 Experimental test for matter wave
Thompson’s experiment
(a) The experimental arrangement used by
Thomson to demonstrate a diffraction pattern
characteristic of the atomic arrangements in a
target of powdered aluminum. (b) The diffraction
pattern by (b) X-ray beam and (c) electron beam.
(a)

(b) (c)
Images from Fundamentals of Physics by Halliday, Resnick, & Walker

Experimental results by Thompson indicated that a particle beam having the

momentum corresponding to de Brogile wavelength comparable to X-ray
show the same diffraction pattern expected for that of X-ray with the same
wavelength when it is incident on a target specimen like powdered aluminum.
 Hydrogen atom
• Application of Quantum theory for shedding light on
atomic properties
http://chemistry.tutorvista.com/
Hot blackbody

Cloud of
cooler gas

Discrete spectral lines were observed in the emission/ absorption

spectra of H-gas (1906), making scientists puzzled and look for its
origin.
 Bohr’s Hydrogen Atom Model
Perspectives from de Broglie’s
matter wave

Niels Bohr made a bold

proposal to explain discrete
from Conceptual Physics by P. Hewitt
spectra of H atom:
Bohr’s condition for “stationary” orbit in
- A stationary orbit is formed for an
fact corresponds to the condition to
electron if 𝐿 = 𝑚𝑣𝑟 = 𝑛ℏ.
form “stationary (standing)” wave in a
- Light can be emitted or absorbed circle (see the figure above)
when an electron changes its orbit 𝑛𝜆𝑛 = 2𝜋𝑟𝑛 ,
while satisfying 𝜆𝑛 = 2𝜋Τ𝑘𝑛 = ℎ/𝑝𝑛 (𝑛 = 1,2,3, . . . )
𝐸𝑖 − 𝐸𝑓 = ±ℎ𝜈
(+: emission, -: absorption) ∴ 𝐿𝑛 = 𝑟𝑛 𝑝𝑛 = 𝑛ℎ/2𝜋 = 𝑛ℏ
 Bohr’s Hydrogen Atom Model
Bohr’s theory was quite successful in that it was able to predict the
discrete energy levels associated with each stationary orbit and
thus discrete emission/absorption spectra in a quantitative way.
1 e2
4 0 r 2
=
mv2
r
(
(1)  Coulomb force= centrifugal force )
(mvr )v (n )v e2
= = 2 →v= = vn (2)
r 2
r 4 0
n

Combining (1) and (2),

( )
2
1 2
e 1 e 2 4 0n n 2 4 0 2
n 2 0 2
rn = = = = = n 2aB (3)
4 0 mvn 2 4 0 m e4 me2 me  2

where aB = 0.53A= Bohr radius.

Combining (1) and (3),

1 1 e2 1 e2 1 e2
En = T + V = mvn −
2
= −
2 4 0 rn 8 0 rn 4 0 rn
1 e2 1  me4  13.6eV
=− = − 2 =− (4)
8 0 rn n  8 0h2  n2
 Uncertainty Principle
• Classical wave packets:
- Spatial spread of a wave packet: Δ𝑥
- Momentum spread of a wave packet: Δ𝑘
Δ𝑥Δ𝑘~2𝜋
• Electrons have similar properties:
(Uncertainty Principle)
𝛥𝑥𝛥𝑝 = Δ𝑥 ℏΔ𝑘 ≥ ℎ
Δ𝐸Δ𝑡 ≥ ℎ

- The most fundamental principle of quantum mechanics, associated

with the concept of wave function and its probabilistic interpretation

- Everything in quantum mechanics breaks down if this uncertainty

principle is found to be invalid!
 Uncertainty
Principle
Δ𝑥Δ𝑝 ≥ ℎ
This means that, if one wants to measure the position of a particle (electron)
and its momentum simultaneously, one cannot measure both accurately. That
is, if one wants to measure the position more accurately, he/she has to lose
the accuracy of the momentum.

Δ𝐸Δ𝑡 ≥ ℎ
This also has to with measurement. What the above uncertainty principle implies
is that, if one wants to measure an energy level of a particle more accurately
(smaller ΔE), the particle has to be stay at the level for longer time (larger Δt). For
example, suppose that a particle is confined in a box and we measure its energy
when the particle comes out of the box. If we want to measure its energy more
accurately, we have to wait longer.
 Schrö dinger Equation

• Schrödinger Equation
• Meaning of the Wave Function
 Intuitive Derivation of
the Time-independent Schrö dinger Equation

• From basic electromagnetics, simple Helmholtz equation is

given by 2 2 2 𝜕2 𝜕2 𝜕2
𝛻 𝜓 + 𝑘 𝜓 = 0 (𝛻 ≡ 2 + 2 + 2 )
𝜕𝑥 𝜕𝑦 𝜕𝑧
– Review electromagnetics, if you cannot understand the above equation

– The wavevector magnitude k is given by

– From de Broglie wavelength, where

• Therefore, we can rewrite the wave equation as follows

−ℏ2 𝛻 2 𝜓 = 𝑝2 𝜓
ℏ2 2 𝑝2
− 𝛻 𝜓= 𝜓
2𝑚 2𝑚
mass of free electron
 Intuitive Derivation of
the Time-independent Schrö dinger Equation

• Note that (p2/2m) is electron’s kinetic energy, and in general,

(Total energy)=(Kinetic energy) + (Potential energy)
• Therefore,
ℏ2 2 𝑝2 ℏ2 2
− 𝛻 𝜓= 𝜓 − 𝛻 𝜓 = 𝐸−𝑉 𝜓
2𝑚 2𝑚 2𝑚
Total Potential
Energy Energy
ℏ2 2
• Or, equivalently, − 𝛻 𝜓 + 𝑉𝜓 = 𝐸𝜓
2𝑚

• Note that this is not the derivation of Schrö dinger equation

– There is no way to derive Schrödinger equation from the first principle
– It has to be postulated, like Newton’s laws are postulated
Another Intuitive Derivation of the Schrö dinger equation
• Energy = kinetic energy + potential energy
𝑝2
𝐸 =𝑇+𝑉 = + 𝑉(𝑥)
2𝑚
• In quantum mechanics, physical observables like position, momentum,
and energy becomes ‘operators’:
ℏ 𝜕 𝜕
𝑥 → 𝑥, 𝑝 → , 𝐸 → 𝑖ℏ
𝑖 𝜕𝑥 𝜕𝑡

• Using the operators,

1 2
𝐸 = 𝑝 + 𝑉(𝑥)
2𝑚
2
𝜕 1 ℏ 𝜕
𝑖ℏ = + 𝑉(𝑥)
𝜕𝑡 2𝑚 𝑖 𝜕𝑥

• introducing “wave function” 𝜓(𝑥, 𝑡)

𝜕 ℏ2 𝜕 2
𝑖ℏ 𝜓(𝑥, 𝑡) = − + 𝑉 𝑥 𝜓(𝑥, 𝑡) : the time-dependent
𝜕𝑡 2𝑚 𝜕𝑥 2 Schrödinger equation
Comparison between the Schrö dinger wave
equation and classical wave equation

Schrödinger Wave Equation

ℏ2 𝜕 2 𝜕
− 2
+𝑉 𝑥 𝜓 𝑥, 𝑡 = 𝑖ℏ 𝜓(𝑥, 𝑡)
2𝑚 𝜕𝑥 𝜕𝑡

Classical Wave Equation

𝜕2 1 𝜕2
𝜓 𝑥, 𝑡 = 2 2 𝜓(𝑥, 𝑡)
𝜕𝑥 2 𝑣 𝜕𝑡
 Time-independent Schrö dinger equation

• If the potential 𝑉 is time-independent, i.e. 𝑉 𝑥, 𝑡 = 𝑉(𝑥)

• We try 𝜓 𝑥, 𝑡 = 𝜓 𝑥 𝜙(𝑡) (‘separation of variables’ technique)

ℏ2 𝜕 2 𝜕
𝜙 𝑡 − + 𝑉 𝜓 𝑥 = 𝑖ℏ𝜓 𝑥 𝜙 𝑡
2𝑚 𝜕𝑥 2 𝜕𝑡
1 ℏ2 𝜕 2 1 𝜕
− + 𝑉 𝜓 𝑥 = 𝑖ℏ 𝜙 𝑡 = 𝐸 (a constant)
𝜓 𝑥 2𝑚 𝜕𝑥 2 𝜙 𝑡 𝜕𝑡
𝑖𝐸
𝜕𝜙 −ℏ𝑡
• Temporal part: 𝑖ℏ = 𝐸𝜙 → 𝜙 𝑡 = 𝑒
𝜕𝑡
• Spatial part:
ℏ2 𝝏𝟐
− + 𝑉 𝜓 𝑥 = 𝐸𝜓 𝑥 ( time-independent Schrödinger Eq.)
2𝑚 𝝏𝒙 𝟐

• Full solution with both the spatial and time parts:

𝑖𝐸
𝜓 𝑥, 𝑡 = 𝜓 𝑥 𝜙 𝑡 = 𝜓 𝑥 𝑒− ℏ 𝑡
 Meaning of the Wave Function

• Hint from light (electromagnetic wave / photon)

1 𝑑 2 𝐸(𝑥, 𝑡)
𝛻 2 𝐸(𝑥, 𝑡) − 2 =0
𝑐 𝑑𝑡 2

𝜆1 = 2𝐿, 𝜆2 = 𝐿, …

M 𝐼 ∝ 𝐸(𝑥) 2 M
∝ 𝑁𝑝ℎ𝑜𝑡𝑜𝑛 (𝑥)

Number density (per length) of photons ~ proportional to the

squared magnitude of the associated wave amplitude
 Meaning of the Wave Function
• Hint from light (electromagnetic wave / photon)

~30 photons ~1000 photons ~10000 photons

Hewitt, Conceptual Physics

 Probability Density, |ψ|2

• The probability density P(r) of finding the electron at any

specific point r in space is proportional to |ψ(r)|2
– note that the probability of finding a photon at any point in space is
proportional to the square of the electric field wave (intensity or electric
energy density are proportional to the square of the electric field)
– In classical mechanics, the position of a particle can be determined
precisely, whereas in quantum mechanics, the position of a particle is
found in terms of a probability

• Or, equivalently,

• From the definition of probability,

∞
• For one-dimensional case, න 𝜓 𝑥 2 𝑑𝑥 =1
−∞
 Wavefunction, ψ

• In addition to ∫ 𝝍 𝒓 𝟐 𝒅𝟑 𝒓 = 𝟏, 𝝍(𝒓) has to meet the

following boundary conditions.

– Condition 1. It must be finite, single-valued, and continuous.

– Condition 2. Its derivative, 𝛻𝜓(𝑟), must be finite, single-valued, and
continuous.

– In special cases where the potential function, V, becomes infinite in

particular regions of space, the first derivative will not necessarily be
continuous, but the remaining boundary conditions will still hold.
Applications of Schrödinger Equation

• Electron in free space

• Infinite barrier Problem
• Step barrier
• Tunneling
 Electron in Free space
• In free space, potential 𝑉 𝑥 = 0

ℏ2 𝝏𝟐
− 𝜓 𝑥 = 𝐸𝜓 𝑥 ---- (1)
2𝑚 𝝏𝒙𝟐

𝝏𝟐
𝝏𝒙𝟐
𝜓 𝑥 + 2𝑚𝐸
ℏ2
𝜓 𝑥 =0 ---- (2)

≡ 𝒌𝟐

• The solution is :

𝜓 𝑥 = 𝐴𝑒 𝑖𝑘𝑥 + 𝐵𝑒 −𝑖𝑘𝑥 --- (3)

• The total wave function :

𝜓 𝑥, 𝑡 = 𝜓 𝑥 𝑒 −𝑖𝜔𝑡 = 𝐴𝑒 𝑖(𝑘𝑥−𝜔𝑡) + 𝐵𝑒 −𝑖(𝑘𝑥+𝜔𝑡) --- (4)

 Electron in Free space
• Let’s consider an electron traveling in the +𝑥 direction:

𝜓 𝑥, 𝑡 = 𝐴𝑒 𝑖(𝑘𝑥−𝜔𝑡)

2𝑚𝐸 𝑝2 𝑝
𝑘= = =
ℏ2 ℏ2 ℏ

• We can see that the de Broglie’s relationship 𝑝 = ℏ𝑘 is recovered

(or this justifies our interpretation of 𝑘 as the wave number)

• Electron expressed by the above wave function (or plane wave)

- has a definite energy 𝐸 and definite momentum 𝑝
- in other words, Δ𝑝 = 0
- this implies that from the uncertainty principle, Δ𝑥 = ∞
- that is, “the electron” is spread all over the space
- this is consistent with the fact that
2 𝑖𝑘𝑥−𝜔𝑡 2
𝜓 𝑥, 𝑡 = 𝐴𝑒 = 𝐴2 = 𝑐𝑜𝑛𝑠𝑡𝑎𝑛𝑡
so, electron can be found anywhere with equal probability
 Energy vs. Momentum for Free Particle
𝑝2 ℏ2 𝑘 2
𝐸= =
2𝑚 2𝑚

𝑝 = 2𝑚𝐸

2𝑚𝐸
𝑘=
ℏ

2𝜋 ℎ
𝜆= =
𝑘 2𝑚𝐸
k

A free particle with a well-defined energy will also have a well-defined

wavelength and momentum.
 Applications of Schrö dinger Equation

Quantum confinement e
(electrons are confined in space
Two cases within a potential)

Transmission problem e
(electrons are incident from the left
and transmit through a potential
barrier(s) to the right)

• Confinement: bound state → discrete energy levels (eigenvalue problem)

• Transmission problem: unbound state → transmission/tunneling probability

In both the cases, our objective is to find the wave function 𝜓

The infinite potential well

• Potential

0 if 0 < 𝑥 < 𝑎
𝑉 𝑥 = ቊ
∞ otherwise

• Solution of Schrödinger equation inside the

well (Region II)

ℏ2 𝜕 2
− 𝜓 𝑥 = 𝐸𝜓 𝑥
2𝑚 𝜕𝑥 2
2𝑚𝐸
𝜓 𝑥 = 𝐴𝑒 𝑖𝑘𝑥 + 𝐵𝑒 −𝑖𝑘𝑥 where 𝑘=
ℏ2
 The infinite potential well
• At the boundaries :

𝜓 𝑥 =0 =𝐴+𝐵 =0 1 1 𝐴 0
= --- (1)
𝑒 −𝑖𝑘𝑎 𝑒 𝑖𝑘𝑎 𝐵 0
𝜓 𝑥 = 𝑎 = 𝐴𝑒 −𝑖𝑘𝑎 + 𝐵𝑒 𝑖𝑘𝑎 = 0

• Non-trivial solution of 𝐴 ≠ 0 and 𝐵 ≠ 0 exists if

1 1
= 𝑒 𝑖𝑘𝑎 − 𝑒 −𝑖𝑘𝑎 = 2 sin( 𝑘𝑎) = 0 --- (2)
𝑒 −𝑖𝑘𝑎 𝑒 𝑖𝑘𝑎

∴ 𝑘𝑎 = 𝑛𝜋 where 𝑛 = 1,2, …

𝑛𝜋 2𝜋 2𝑎 𝜆
𝑘𝑛 = → 𝜆n = = i. e. 𝑎 = 𝑛 --- (3)
𝑎 𝑘𝑛 𝑛 2
 The infinite potential well
ℏ2 𝑘𝑛2 ℏ2 𝑛2 𝜋 2
• Energy 𝐸𝑛 =
2𝑚
=
2𝑚 𝑎2

• Energy levels and eigenfunctions

𝐸4 = 16𝐸1 = ℏ𝜔4 2 4𝜋
𝜓4 𝑥 = sin 𝑥
𝑎 𝑎
𝐸3 = 9𝐸1 = ℏ𝜔3 2 3𝜋
𝜓3 𝑥 = sin 𝑥
𝑎 𝑎

𝐸2 = 4𝐸1 = ℏ𝜔2 2 2𝜋
𝜓2 𝑥 = sin 𝑥
𝑎 𝑎
ℏ2 𝜋 2
𝐸1 = = ℏ𝜔1 2 𝜋
2𝑚𝑎2 𝜓1 𝑥 = sin 𝑥
𝑎 𝑎 Four lowest Corresponding Corresponding
discrete energy
• Time-dependent wave-function: wave functions probability
levels functions

𝜓𝑛 𝑥, 𝑡 = 𝜓𝑛 𝑥 𝑒 −𝑖𝜔𝑛 𝑡
2 ℏ𝑘𝑛2
= sin 𝑘𝑛 𝑥 𝑒 −𝑖𝜔𝑛 𝑡 , where 𝜔𝑛 =
𝑎 2𝑚
 Energy vs. Momentum for
Particle in the Infinite Potential Well
• The possible values for energy and momentum are now
‘quantized’

ℏ2 𝑛𝜋 2
𝐸𝑛 =
2𝑚 𝑎

𝜋ℏ
𝑝𝑛 = 𝑛
𝑎
 The finite potential well

𝑈0 • Potential
0 if 0 < 𝑥 < 𝑎
𝑉 𝑥 = ቊ
𝑈0 otherwise
0 0

• Solution: there are “quantized energy levels” inside the well

(quantized energy levels)

(wave functions)
 Other confinement potentials

“triangular-like potential” “parabolic potential”

Even (node = 1) → Odd (node = 2) → Even (node = 3) → ….

Transmission Problem: The Step Potential Function

• Schrödinger equation
Region
Region 1 2 ℏ2 𝜕 2
In Region 1 : − 𝜓 = 𝐸𝜓1
2𝑚 𝜕𝑥 2 1
ℏ2 𝜕 2
In Region 2 : − 𝜓 + 𝑉𝑜 𝜓2 = 𝐸𝜓2
2𝑚 𝜕𝑥 2 2

• Solution (the case of 𝐸 > 𝑉0 )

2𝑚𝐸
Region 1 : 𝜓1 = 𝐴𝑒 𝑖𝑘1𝑥 + 𝐵𝑒 −𝑖𝑘1𝑥 , 𝑘1 =
ℏ
2𝑚 𝐸 − 𝑉𝑜
Region 2 : 𝜓2 = 𝐶𝑒 𝑖𝑘2𝑥 , 𝑘2 =
ℏ
 Transmission Problem: The Step Potential Function

• The boundary conditions “crude” justification

From current continuity
𝜓𝐼 𝑥 = 0 = 𝜓𝐼𝐼 𝑥 = 0 ℏ𝑘1 𝑒ℏ
𝑗1 = 𝑒𝜐1 ∝ 𝑒 = 𝑖ℏ
𝜕
𝐵 𝐶 𝑚 𝑚 𝜕𝑥
𝐴+𝐵 =𝐶 → 1+ = (1) ℏ𝑘2 𝑒ℏ 𝜕
𝐴 𝐴 = 𝑒𝜐2 ∝ 𝑒
𝑚
=
𝑚
𝑖ℏ
𝜕𝑥
𝜕𝜓1 𝜕𝜓2
𝜕 𝜕 ∴
𝜕𝑥
=
𝜕𝑥
𝜓ቚ = 𝜓 ቚ
𝜕𝑥 𝐼 𝑥=0 𝜕𝑥 𝐼𝐼 𝑥=0
If the masses of the two regions
𝐵 𝑘2 𝐶 are different, the current
1− = ⋅ (2) continuity leads to
𝐴 𝑘1 𝐴
1 𝜕𝜓1 1 𝜕𝜓2
=
𝑚1 𝜕𝑥 𝑚2 𝜕𝑥

• Note that this is NOT an eigenvalue problem; i.e. the incident electron has
the continuous energy levels (0 < 𝐸 < ∞)
Transmission Problem: The Step Potential Function
• Solution from (1) & (2) :
𝑘2 𝐶 𝐶 2
2= 1+ ⋅ → =
𝑘1 𝐴 𝐴 1 + 𝑘2 Τ𝑘1
𝐵 𝐶 𝑘2 𝑘2
= −1= 1− ൘ 1+
𝐴 𝐴 𝑘1 𝑘1
𝑒ℏ
𝐽𝐼 = 𝑘1 ⋅ 𝐴 2 (incident flux)
𝑚
𝑒ℏ
• Current Flux 𝐽𝑅 = 𝑘1 ⋅ 𝐵 2 (reflected flux)
𝑚
𝑒ℏ
𝐽𝑇 = 𝑘2 ⋅ 𝐶 2 (transmitted flux)
𝑚
2 2
𝐽 𝐵 1 − 𝑘2 Τ𝑘1
• Reflection coefficient 𝑅 = 𝑅 = 2 = 2
𝐽𝐼 𝐴 1 + 𝑘2 Τ𝑘1

𝐽𝑇 𝑘2 𝐶 2 4𝑘2 1
• Transmission coefficient 𝑇= = = ⋅
𝐽𝐼 𝑘1 𝐴 2 𝑘1 1 + 𝑘2 Τ𝑘1 2

=1−𝑅
⇒ 𝑇+𝑅 =1
Transmission Problem: The Step Potential Function
• What happens if 𝐸 < 𝑉0 ?

• Schrödinger equation
𝐸
𝑉𝑜 ℏ2 𝜕
In Region 1 : − 𝜓 = 𝐸𝜓1
2𝑚 𝜕𝑥 2 1
Region 1 Region 2
ℏ2 𝜕
In Region 2: − 𝜓 + 𝑉0 𝜓2 = 𝐸𝜓2
𝑥=0 2𝑚 𝜕𝑥 2 2

• Similar to the previous case, but

2𝑚𝐸
𝜓1 = 𝐴𝑒 𝑖𝑘1 𝑥 + 𝐵𝑒 −𝑖𝑘1 𝑥 𝑘1 =
ℏ

2𝑚(𝑉0 −𝐸)
𝜓2 = 𝐶𝑒 −𝜅2𝑥 𝜅2 =
ℏ

• R = 1, and T = 0
 The Step Potential Function
( in terms of “wave” picture)

Case : 𝐸 > 𝑉0
2
𝐽𝑅 𝐵
𝐵𝑒 𝑖 −𝑘1 𝑥−𝜔𝑡
𝑅= =
𝐽𝐼 𝐴
𝐶𝑒 𝑖 𝑘2 𝑥−𝜔𝑡

𝐸
2
𝐽𝑇 𝑘2 𝐶
𝐴𝑒 𝑖 𝑘1 𝑥−𝜔𝑡 𝑇= =
𝐽𝐼 𝑘1 𝐴
𝑉𝑜
 What do T and R mean ?
(in terms of “particle” picture)
Case : 𝐸 > 𝑉0
For example: 𝑅 = 0.3, 𝑇 = 0.7

300
700
𝐸

1000
𝑉𝑜

• Suppose we are doing a scattering experiment with “electron particle”

- Total number of trial = 1000 times
- Transmitted = 700 times (expected value)
- Reflected = 300 times (expected value)
 Transmission as a Function of Energy

Case : 𝐸 > 𝑉0

𝐵𝑒 𝑖 −𝑘1 𝑥−𝜔𝑡

𝐶𝑒 𝑖 𝑘2 𝑥−𝜔𝑡

𝐴𝑒 𝑖 𝑘1 𝑥−𝜔𝑡

𝑉𝑜

0 1
𝑇(𝐸)

• If 𝐸 ≫ 𝑉0 , almost no reflection (like classical particle)

• If 𝐸 becomes closer to 𝑉0 , reflection increases sharply
 The Step Potential function

Case : 𝐸 < 𝑉0

𝐵𝑒 𝑖 −𝑘1 𝑥−𝜔𝑡 𝐽𝑅 𝐵 2
𝑅= = = 1
𝐽𝐼 𝐴
𝐸

𝑇 =1−𝑅 =0
𝐶𝑒 −𝑘2 𝑥
𝐴𝑒 𝑖 𝑘1 𝑥−𝜔𝑡 𝑉𝑜

|𝜓ȁ2 = ȁ𝐶ȁ2 𝑒 −2𝑘2 𝑥

There’s non-zero probability to find electrons here! But R = 1.
 In terms of “particle” picture
Case : 𝐸 < 𝑉0
𝐽𝑅 𝐵 2
𝑅= = = 1
𝐽𝐼 𝐴

1000 𝑇 =1−𝑅 =0
𝐸
𝐶𝑒 −𝑘2 𝑥
900 𝑉𝑜
100

• Suppose we are doing a scattering experiment with “electron particle”

• An example:
- Total number of trial = 1000 times
- Directly Bounce back (without penetration) = 900 times
- Penetrate into inside of the step, then bounce back eventually = 100 times
 Step Potential Simulation

• http://phet.colorado.edu/en/simulation/quantum-tunneling
 Potential barrier and tunneling

Under the barrier ( 𝑬 < 𝑽𝟎 ) • Wave functions in each region

2𝑚𝐸
𝜓1 𝑥 = 𝐴𝑒 𝑖𝑘𝑥 + 𝐵𝑒 −𝑖𝑘𝑥 𝑘= ℏ
2𝑚 𝑉0 −𝐸
𝐴
𝐹 𝜓2 𝑥 = 𝐶𝑒 𝜅𝑥 + 𝐷𝑒 −𝜅𝑥 𝜅=
𝐶 ℏ
E
𝐵 𝑉𝑜 𝜓3 𝑥 = 𝐹𝑒 𝑖𝑘𝑥
𝐷

1 2 3 • Boundary conditions
𝑥=0 𝑥=𝑎
𝑥=0 𝑥=𝑎
𝐴+𝐵 =𝐶+𝐷 𝐶𝑒 𝜅𝑎 + 𝐷𝑒 −𝜅𝑎 = 𝐹𝑒 𝑖𝑘𝑎
𝑖𝑘 𝐴 − 𝐵 = 𝜅(𝐶 − 𝐷) 𝜅 𝐶𝑒 𝜅𝑎 − 𝐷𝑒 −𝜅𝑎 = 𝑖𝑘𝐹𝑒 𝑖𝑘𝑎

Transmission
𝐹 4𝑖𝑘/𝜅
= 2 𝜅𝑎 2 −𝜅𝑎 𝑒 −𝑖𝑘𝑎
𝐴 − 1 − 𝑖𝑘/𝜅 𝑒 + 1 + 𝑖𝑘/𝜅 𝑒
2
𝐹 1
𝑇= =
𝐴 𝑘2 + 𝜅2
1+ sinh2 𝜅𝑎
2𝑘𝜅
 Particle Tunneling (under the barrier)
From nanoHUB
(ABACUS, piecewise-constant-potential lab)

T(E)

1 nm

• Transmission
2
𝐹 1
𝑇= = 2
𝐴 𝑘2 + 𝜅2 2 nm
1+ sinh2 𝜅𝑎
2𝑘𝜅

• When 𝑎 becomes large, 𝑇 𝐸 ~𝑒 −2𝜅𝑎

• When 𝐸 ≪ 𝑉0 ,
𝐸 𝐸
𝑇 𝐸 ~16 1− 𝑒 −2𝜅𝑎 3 nm
𝑉0 𝑉0
0 1
 Potential barrier and tunneling

Over the barrier ( 𝑬 > 𝑽𝟎 ) • Wave functions in each region

2𝑚𝐸
𝜓1 𝑥 = 𝐴𝑒 𝑖𝑘𝑥 + 𝐵𝑒 −𝑖𝑘𝑥 𝑘=
E ℏ
′𝑥 ′𝑥 2𝑚 𝐸−𝑉0
𝐴
𝐹 𝜓2 𝑥 = 𝐶𝑒 𝑖𝑘 + 𝐷𝑒 −𝑖𝑘 𝑘′ =
𝐶 ℏ
𝑉𝑜
𝐵
𝐷 𝜓3 𝑥 = 𝐹𝑒 𝑖𝑘𝑥

1 2 3 • Boundary conditions
𝑥=0 𝑥=𝑎
𝑥=0 𝑥=𝑎
′ ′
𝐴+𝐵 =𝐶+𝐷 𝐶𝑒 𝑖𝑘 𝑎 + 𝐷𝑒 −𝑖𝑘 𝑎 = 𝐹𝑒 𝑖𝑘𝑎
′ ′
𝑖𝑘 𝐴 − 𝐵 = 𝑖𝑘′(𝐶 − 𝐷) 𝑖𝑘′ 𝐶𝑒 𝑖𝑘 𝑎 − 𝐷𝑒 −𝑖𝑘 𝑎 = 𝑖𝑘𝐹𝑒 𝑖𝑘𝑎

Transmission
𝐹 4𝑘/𝑘′
= 2 𝜅𝑎 2 −𝜅𝑎
𝑒 −𝑖𝑘𝑎
𝐴 − 1 − 𝑘/𝑘′ 𝑒 + 1 + 𝑘/𝑘′ 𝑒
2
𝐹 1
𝑇= =
𝐴 𝑘2 − 𝑘′2
1+ sin2 𝑘′𝑎
2𝑘𝑘′
 Particle Transmission (Over the barrier)

E
𝑉𝑜

𝑥=0 𝑥=𝑎

• Transmission
2
𝐹 1
𝑇= =
𝐴 𝑘 2 − 𝑘 ′2
1+ sin2 𝑘 ′ 𝑎
2𝑘𝑘′

If 𝑘 ′ 𝑎 = 𝑛𝜋, T(E) = 0 T(E) = 1

𝑇 𝐸 = 1 → Resonance
 Potential Barrier Simulation

• http://phet.colorado.edu/en/simulation/quantum-tunneling
 Real-World Examples

• Confinement potentials
• Scanning tunneling microscopy
 Real-world examples of
confinement potential

• Quantum dot

- Three-dimensional (3D) confinement

- “Particle in a box”
- Energy levels, if the quantum dot is modeled by a 3D infinite
potential well problem, are given as a straightforward extension
of the 1D infinite well problem:

ℏ2 (𝑚2 +𝑛2 +𝑙 2 )𝜋2

𝐸𝑚,𝑛,𝑙 =
2𝑚∗ 𝐿2
 Quantum Dot
Application of a quantum-confinement effect in displays
Nanosys.com

Bawendi group @ MIT

CREOL@ UCF
Nanosys.com
Real-world examples of confinement potential

• Quantum well

- Configuration in which a semiconductor

layer is sandwiched by other
semiconductor layers with larger band
gap can create a quantum well structure.

- Electrons are then confined in quasi-

two dimensional space.

- Useful in semiconductor lasers and

LEDs, etc.
Real-world examples of confinement potential

As the gate voltage is applied,

MOS (metal-oxide-semiconductor) device the potential profile changes
conduction
band edge

Workfunction 𝑉𝑔 = 0 𝑉𝑔
(Metal Gate)

Band
Offset
valence
band edge

“Electron gas” in MOS

inversion layer
• Electron gas in MOS
- Electrons become confined in the potential well of inversion layer which
an be approximated by a triangular.
 Application of tunneling :
scanning-tunneling microscopy (STM)
Image:ScanningTunnelingMicroscope schematic.png

The STM is a non-optical microscope

which employs principles of quantum
mechanics. An atomically sharp probe
(the tip) is moved over the surface of
the material under study, and a voltage
is applied between probe and the
surface. Depending on the voltage
electrons will "tunnel" (this is a
quantum-mechanical effect) or jump
from the tip to the surface (or vice-
versa depending on the polarity),
resulting in a weak electric current. The
size of this current is exponentially
Wikipedia.org dependent on the distance between
probe and the surface.
Wikipedia.org
Made by electrochemically etching a wire
made from tungsten, gold, etc.