MODELING AND SIMULATION OF

MICROELECTRONIC DEVICES

SKEL 4653

TOPIC 1 : QUANTUM WELL

BASED ON THE BOOK: NANOELECTRONICS -

QUANTUM ENGINEERING OF LOW-
DIMENSIONAL NANOENSEMBLES
Modeling and Simulation of Microelectronic Devices

Topic 1: Quantum Well

Lecture 1: Quantum Era

Wave-particle duality
French physicist Louis de
Broglie proposed (1924) that
electrons and other discrete bits
of matter, which until then had
been conceived only as material
particles, also have wave
properties such as wavelength
and frequency.

This was called a hypothesis

because there was no evidence
for it when it was proposed,

Later (1927) the wave nature of

electrons was experimentally
established by American
physicists Clinton Davisson and
Lester Germer and
independently by English
physicist George Paget
Thomson.
 Birth of the Nano Era (1927)
h
De Broglie’s Quantum Waves: D 
p
2
1 p
p  m * v E  m * v2   p  2m * E
2 2m *
h h h 1
D   
p 2m * E 2mo (1 eV ) (m * / mo ) E (eV )
6.63 1034 J .s 1

2  9.1 1031 kg  1.6  1019 J (m * / mo ) E (eV )
1 1
 1.23 109 m  1.23 nm
(m * / mo ) E (eV ) (m * / mo ) E (eV )
Thermal Wavelength (GaAs):
1 Thermal Energy: E = kBT
D  1.23 nm.eV 1/2
(m * / mo ) E (eV )
1.23 nm
  30 nm
0.067  0.0259
DE-BROGLIE WAVELENGTH (nm) De Broglie Waves
100
Si (m* = 0.26 mo)
80 GaAs (m* = 0.067 mo)
GaN (m* = 0.19 mo)
60

40

20

0
0 100 200 300 400
TEMPERATURE (K)
 Photon Waves
hc
The photon energy E  hf 

The wavelength
hc 6.63  1034 J .s  3  108 m / s 1240 nm
  19

E E (eV )  1.6  10 J / eV E (eV )

1240 eV .nm
Example: E  2.0 eV     620 nm
2.0 eV
Visible EM Spectrum
  400  800 nm (VIBGYOR) 
1240 eV .nm
E (eV )   3.1 eV (Violet )
400 nm
1240 eV .nm
E (eV )   1.55 eV (Re d )
800 nm
 Earlier Model of Atom
 The electron discovery 1897
 The electron mass much smaller than the
atom.
 Atoms electrically neutral
 Primitive Model: “plum pudding,” electron
embedded in a positive charge
 Modern Planetary Model
 “Solar System” model
of the atom – electrons
orbiting a small,
positively charged
nucleus.
 Atomic Number Z: The
number of protons
equal to number of
electrons
 Mass Number A=Z+N,
the number nucleons
(protons+neutrons)
 Chemical Symbol: ZXA
Is the Bohr Model of the Atom Accurate?
Is the Quantum Model of the Atom More
Accurate than the Bohr Model?

http://factmyth.com/factoids/the‐bohr‐model‐is‐the‐most‐
accurate‐model‐of‐an‐atom/

https://www.youtube.com/watch?v=NSAgLvKOPLQ
 Planar Hydrogen Atom
-q
Fc
Zq r
r'  r r'  

1 Q1Q2 1  Zq   q  1 Zq 2
Coulomb Force : F   
4 o r 2
4 o r 2
4 o r 2

dU
PE U : F  U    dU   Fdr
dr
r r 1 Zq 2
U   F (dr ')    (dr ')
  4 o r '2

11 r Zq 2
 Zq 2

4 o r'  4 o r
Centripetal Force, KE, Energy
-q
Fc
Zq

 Centripetal Force
FC 
1 Zq 2 mo v 2
  mo v 
2 1 Zq 2 Planar Hydrogen Atom
4 o r 2 r 4 o r with Centripetal Force on
 Kinetic Energy Electron seeking the center
1 1 Zq 2
KE  mo v 
2

2 8 o r
 Total Energy
1 Zq 2 1 Zq 2 1 Zq 2
PE  KE    
4 o r 8 o r 8 o r
 De Broglie Hypothesis
Allowed orbits
comprising an integral
number of
wavelengths of the
electron – a kind of
standing wave.
h h
D  
p mo v
h
2 r  nD  n
p
 Orbit Discretized
 The momentum of
an electron in the
nth orbit is:

h
p  mo v 
D
h 
 n
2 r / n r
n  1, 2, 3,...
 Orbit Discretized
 The momentum of
an electron in the
nth orbit is: 
mo v  n
r
mo vr  n
n
vr 
mo
n n
v  vn 
mo r mo rn
 Quantized (Digitized) Orbits

rmo v  n  vn  n
mo rn
1 Zq 2 mo v 2 1 Zq 2
FC    m v 2

4 o r 2
4 o r
o
r
2
   1 Zq 2
mo  n  
 mo rn  4 o rn
2
1 1 Zm q
 o

rn 4 o n 2  2
 Quantized Radii
2
1 N .m q  1.6  10 19 C
mo  9.1110 31
kg  9.0 109
4 o C2

4 o  2
rn  n 2
2
n  1, 2,3,........
Zmo q
2
n 11
rn  5.29 10 m  0.053 nm
Z
r1  0.053 nm
Bohr ' s radius
 Quantized Radii-Examples
4 o n  2 2
rn  2
mo q

2
Zq
vn 
4 o n
 Example
Find the radius of the n = 4 Bohr orbit of a doubly
ionized lithium atom Li2+ Z =3

4 o n  2
n r12 2
rn  2

mo Zq Z

16  0.053 nm 
r4   0.283 nm
3
 Velocity and Energy
  1 Zmo q 2 1 Zq 2
vn  n n 
mo rn mo 4 o n 
2 2
4 o n
Z
 2.2  106 m / s
n

1 Zq 2 1 1 Zmo q 2
En    Zq 2

8 o rn 8 o 4 o n 2  2

1 1 mo Z 2 q 4

2  4 o 2 n 2  2

18 Z2
 2.18  10 J 2
n
Z2
 13.6 eV 2
n
 Let There Be Light-Photons
hc
hf   E  Enu  En

hc 6.63  10 34 J .s  3  108 m / s 1240 nm
  19

E E (eV )  1.6 10 J / eV E (eV )

1240 nm 91.18nm
 
 1 1   1 1 
13.6 2  2   2  2 
 n nu   n nu 
     
 Example-Balmer Series
 13.6 eV 
nu  3, 4, 5  Ei   2
  1.5,  0.85,  0.544 
 nu 

 13.6 eV 
n  2 Ei   2
 3 .4 
 2 
1240 nm 1240
   653 nm
E32 (eV ) 1.9
1240 nm 1240
   486 nm
E42 (eV ) 2.55
1240 nm 1240
   434 nm
E52 (eV ) 2.856
The Emission and Absorption
Spectrum
Each atom has its own
particular pattern of
emission lines. If white
light passes through, it
absorbs at the same
frequencies seen in the
emission spectrum.
 The Lyman, Balmer, and
Paschen Series

Ground state is n=1 First excited state is n=2 Second excited state is n=3

Lyman Series Balmer Series Paschen Series

The Lyman, Balmer, and
Paschen Series
 Example
First orbit contains one de Broglie wave

r1  0.053nm

D  2 r1  0.333 nm
h 24 kg .m
p1   2.0  10
D s

kg .m
24
2.0  10
p1 s
v1  
mo 9.1  1031 kg
m
 2.2  10 6

s
Photon Absorption and Emission
Transparency and Opaqueness
hc 1240 eV
E 
  (nm)
1240
 (nm) 
E  2.06 eV
 602 nm
 Example 1
Calculate (a) the wavelength of a free electron of energy 1 eV
from 𝜆 =h/p; (b) the wavelength of a photon of energy 1eV
from E = hf = hc/λ.
 Example 2
What is the energy (in J and eV) of a red photon having a
wavelength of 750 nm?
 Example 3
The electric vibration in household electricity is 60 Hz, a
household microwave is 2.4 GHz, and UV light is 30 THz.
Find the energy of quantum in each case.

0.12 eV (UV light)

 Example 4
The quantum nature of photon is vividly seen in a photoelectric
experiment where a photon takes an electron (photoelectron)
from its deep lying state at the Fermi energy to vacuum.

The energy required is called the work function. A metal has

a work function of qϕ = 4.0 eV. The kinetic energy of the emitted
photoelectron is 0.3 eV.

What is the wavelength of the photon? Assume that the photon is

completely absorbed and gives all its energy to the electron.
 Example 4
Answer: The energy conservation requires that the energy of a
photon is converted into the work done to take an electron out of
metal that requires qϕ = 4.0 eV. The rest goes in the form of
kinetic energy.
 Example 5
Given Bohr’s radius of the ground state in the hydrogen atom
is r1 = 0.053 nm, calculate the de Broglie wavelength of an
electron in the ground state, its momentum, and its velocity
 Example 6
Find the de Broglie wavelength of the ground state (n = 1) of the
hydrogen atom.

 Answer: The Bohr model can be used to calculate the de

Broglie wavelength of an electron in the ground state of a
hydrogen atom. The orbit contains integer number of the de
Broglie waves:
2
n
n D  2 rn rn  5.29 10 11 m  0.053 nm
Z
2 rn 2 r1
 D  
n 1
 2  0.053  10 9 nm  0.332 nm
 Example 7
What should be the thickness L of the semiconductor layer to
ensure that the difference between the ground (i.e., the lowest)
energy level and the first excited level is equal to the thermal
energy (kBT) at room temperature (T = 300 K)?
 Example 7
Answer:
 2 2
En  n 2

2mL2
 E21  22  12  
0.0259
 3E1  k BT  E1   0.00863 eV
3

 2 1.055  1034 
2
  2 2
 
2 2
E1  L 
2m * L 2
2m * E1 2  0.067  9.1 1031  0.00863  1.6  1019
 25.5  10 9 m  25.5 nm
 Quiz 1
a) What is the quantum number n of the hydrogen- atom orbit
represented by the following figure.
b) What is the radius of the hydrogen-atom orbit represented by
following figure.
c) What is the velocity of the electron in the hydrogen atom
orbit represented by the following figure.
 Quiz 1
a) What is the quantum number n of the hydrogen- atom orbit
represented by the following figure.

Answer: There are

five wavelengths
contained in the orbit
shown in the figure, so
we conclude the
electron is in the n = 5
state.
 Quiz 2
b) What is the radius of the hydrogen-atom orbit represented by
following figure.

Answer: The de Broglie wavelength is proportional to the orbit

number, and the number of wavelengths contained in the
circumference is equal to the orbit number. These two facts
require the radius to be proportional to n2:
4  2
rn  n 2 o

Zmo q 2
2
n
rn  5.29  1011 m
z
52
r5  5  5.29 10
2 –11
m   0.053 nm  1.32 nm
z
 Quiz 2
c) What is the velocity of the electron in the hydrogen atom
orbit represented by the following figure.
  1 Zmo q 2 1 Zq 2
Answer: vn  n n 
mo rn mo 4 o n 
2 2
4 o n
Z
v5  2.2  106 m s
n
1
 2.2  106 m s
5
 0.44 106 m s