EEE 307

Introduction to quantum mechanics: Wave nature of electrons,

Schrodinger's equation, one-dimensional quantum problems-
infinite quantum well, potential step and potential barrier;
Heisenbergs's uncertainty principle and quantum box, Electron in
a 3D box. Hydrogen Atom.

Dr. Md. Kawsar Alam, Professor, Department of Electrical and Electronic Engineering, BUET
 Light Wave or Particle? : Classical View

Eo

The electric and magnetic fields, Ey and Bz, of this wave are
perpendicular to each other and to the direction of propagation x.

The classical view of light as an electromagnetic wave.

An electromagnetic wave is a traveling wave with time-varying electric and magnetic
Fields that are perpendicular to each other and to the direction of propagation.

Fig 3.1
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 2
 Light as an Electro-Magnetic Wave

Traveling wave:
Angular frequency

E y ( x, t ) Eo sin(ωt − kx)
=
Amplitude Propagation constant

Intensity of light wave

k = 2π/λ
Energy flow per unit area per unit time (radiation power flow per unit area)

1
I = cε oE o
2

2 Absolute permittivity
Velocity of light
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 3
 Light as a wave:
Young’s Double Slit Experiment and Interference Fringes

Bright fringes = Constructive interference (at P)

Dark fringes = Destructive interference

Schematic illustration of Young’s double-slit experiment.

Fig 3.2
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 4
Diffraction of Light from Periodic Structures: Wave Property

Diffraction patterns obtained by passing X-rays through crystals can only be explained by using ideas
based on the interference of waves. (a) Diffraction of X-rays from a single crystal gives a diffraction
pattern of bright spots on a photographic film. (b) Diffraction of X-rays from a powdered crystalline
material or a polycrystalline material gives a diffraction pattern of bright rings on a photographic film.
Fig 3.3
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 5
 X-Ray Diffraction from a Crystal
Bragg's Diffraction Condition

Bragg’s law

2d sinθ = nλ
n = 1, 2, 3, ...

X-ray diffraction involves constructive interference of waves being

"reflected" by various atomic planes in the crystal. d is the interplanar
separation
Fig 3.3
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 6
 Black Body Radiation

λmax T ≈ 2.89 × 10−3 m K

Wien’s displacement law
Schematic illustration of black body radiation and its characteristics.
Spectral irradiance vs. wavelength at two temperatures (3000K is about the temperature of
The incandescent tungsten filament in a light bulb.)

Fig 3.11
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 7
 Max Planck
The Nobel Prize in Physics 1918 was awarded to Max Planck
"in recognition of the services he rendered to the advancement of
Physics by his discovery of energy quanta".

Max Planck (1858–1947), a German theoretical physicist, was

one of the originators of quantum theory, and won the Nobel
Prize in Physics in 1918. His Nobel citation is “in recognition of
the services he rendered to the advancement of Physics by his
discovery of energy quanta”.
© Alpha Historica/Alamy Stock Photo

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 8
 Black Body Radiation
Planck’s radiation law

2πhc 2
Iλ =
5  hc  
λ exp  − 1
  λkT  
Stefan’s black body radiation law

PS = σ S T 4

Stefan’s constant

2π 5 k 4
σ S = 2 3 = 5.670 ×10 −8 W m −2 K −4
15c h
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 9
 Stefan’s law for real surfaces
Electromagnetic radiation emitted from a hot surface

Pradiation = Total radiation power emitted (W = J s-1)

Pradiation = Sεσ S [T − T ] 4
o
4

σS = Stefan’s constant, W m-2 K-4

ε = emissivity of the surface
ε = 1 for a perfect black body
ε < 1 for other surfaces
S = surface area of emitter (m2)
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 10
 Photoelectric Effect

Fig 3.4

Photoelectric current vs. voltage when the cathode is
illuminated with light of identical wavelength but different
intensities (I). The saturation current is proportional to the
light intensity
The stopping voltage (magnitude) and therefore the
maximum kinetic energy of the emitted electron increases
with the frequency of light f. (Note: The light intensity is
not the same. it is adjusted to keep the saturation current
the same.)

Fig 3.5

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 11
 Photoelectric Effect
Photoemitted electron’s maximum KE is KEm

Photocurrent is extinguished when the negative bias

reaches −V0. The stopped electron has a PE = eV0.

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 12
 Photoelectric Effect

KEm = hf − hf 0

Work function, Φ0
The constant h is called Planck’s constant

Demonstrated by Millikan in 1915, in an

excellent series of photoelectric experiments
using different photocathode materials.

The effect of varying the frequency of light and the cathode material in the photoelectric Experiment.
The lines for the different materials have the same slope h but different intercepts

Fig 3.6
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 13
 Photoelectric Effect
Photoemitted electron’s maximum KE is KEm

KEm = hf − hf 0
Work function, Φ0
The constant h is called Planck’s constant

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 14
 Light is Made of Photos
Assume that light is a stream of particle-like entities each with a
quantum of radiation energy hf
Each photon travels at the speed of light and has an energy Eph = hf

Eph = hf

Intuitive visualization of light consisting of a

stream of photons
(not to be taken too literally)
Fig 3.8
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 15
 Photoelectric Effect

A photon

The PE of an electron inside the metal is lower than outside by an energy called the
workfunction of the metal. Work must be done to remove the electron from the metal.
Fig 3.7
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 16
 Light Intensity (Irradiance)
Intensity = Radiation energy flow per unit area per unit time
Classical light intensity
Amplitude of EM wave

1
I = cε oE o
2

2
Light Intensity (energy flow per unit area per unit time)

I = Γph hf
Photon flux density

∆N ph
Γph =
A∆t
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 17
 The Compton Effect
Arthur Holly Compton (1892–
1962) at the University of
Chicago won the Nobel prize
in physics in 1927 for his
discovery of the Compton
effect with C. T. R. Wilson in
1923. The January 13, 1936
issue of the Time magazine
featured Arthur Compton
holding a cosmic ray detector.
© Imagno/Hulton Archive/Getty Images.

At a time (early 1920's) when the particle (photon) nature of light suggested by the
photoelectric effect was still being debated, the Compton experiment gave clear and
independent evidence of particle-like behavior. Compton was awarded the Nobel
Prize in 1927 for the "discovery of the effect named after him".

Scattering of an X-ray photon by a “free” electron in a conductor.

Fig 3.9
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 18
 The Compton Experiment and its Results

Fig 3.10
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 19
 What are the two peaks?

Elastic Negligible change in λ0 Inelastic scattering

scattering

Fig 3.10
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 20
 Diffraction of Electrons

Young’s double-slit experiment with electrons involves an electron gun and two slits in a
Cathode ray tube (CRT) (hence, in vacuum). Electrons from the filament are accelerated by
a 50 kV anode voltage to produce a beam that is made to pass through the slits. The
electrons then produce a visible pattern when they strike A fluorescent screen (e.g., a TV
screen), and the resulting visual pattern is photographed.
(Pattern from C. Jönsson, D. Brandt, and S. Hirschi, Am. J. Physics, 42, 1974, p.9, figure 8)

Fig 3.12
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 21
 Diffraction of Electrons

Left: Circular bright rings make up the diffraction pattern obtained when
an electron beam is passed through a thin polycrystalline aluminum
sheet. The pattern results from the wave behavior of the electrons; the
waves are diffracted by the Al crystals.
Center and Right: A magnet brought to the screen bends the electron
paths and distorts the diffraction pattern. The magnet would have no
effect if the pattern was due to X-rays, which are electromagnetic waves.
Courtesy of Farley Chicilo

Fig 3.13
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 22
 De Broglie Relationship
Wavelength λ of the electron depends on its momentum p

h
λ=
p
De Broglie relations

h h
λ= OR p=
p λ

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 23
 De Broglie Relationship

A proton traveling at 2200 m s−1.

Using mp = 1.67 × 10−27 kg, we have λ = (h ∕mv) ≈ 0.18 nm.

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 24
 Werner Heisenberg (1901–1976)

Werner Heisenberg (1901–1976) received the Nobel prize in physics in

1932 for the uncertainty principle. This photo was apparently taken in
1936, while he was lecturing on quantum mechanics. “An expert is
someone who knows some of the worst mistakes that can be made in
his subject, and how to avoid them.” W. Heisenberg.
© AIP/Science Source

From Principles of Electronic Materials and Devices, Third Edition, S.O. Kasap (© McGraw-Hill, 2005) 25
 Heisenberg’s Uncertainty Principle
Heisenberg uncertainty principle for position and momentum

∆x∆p x ≥ 
Heisenberg uncertainty principle for energy and time

∆E∆t ≥ 
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 26
 Electron as a Wave
What is waving?

Ψ(x,y,z,t) is called
Total electron wavefunction at x,y,z at time t

|Ψ(x,y,z,t)|2dxdydz = Probability of finding the electron in

a small volume dxdydz at x,y,z at time t
In one dimension
|Ψ(x,t)|2dx = Probability of finding the electron
in dx at x at time t
Ψ(x,t): has no direct meaning
|Ψ(x,t)|2: only this has a meaning [Ψ(x,t)* Ψ(x,t)]
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 27
 Electron Wavefunctions Ψ(x,y,z,t) and ψ(x,y,z)

Assume steady state as in AC circuit theory

Ψ(x,y,z,t) = ψ(x,y,z) × Τ(t)

Depends on space only Depends on time only

Time independent exp(−jωt)

Schrödinger Equation

|Ψ(x,y,z,t)|2 = |ψ(x,y,z)e−jωt|2 = |ψ(x,y,z)|2

Probability per unit volume

|Ψ(x,y,z,t)|2 = |ψ(x,y,z)|2
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 28
 Time Independent Schrödinger Equation

Boundary
conditions Potential
Energy

d ψ 2me
2
+ 2 [ E − U ( x)]ψ =
0
dx 2


Energy ψ(x)
E = Energy of the electron
ψ(x) = Wavefunction of the electron
|ψ(x)|2dx = Probability of finding the electron in dx at x
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 29
 Unacceptable forms of ψ (x)

Fig 3.15
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 30
 Time-Independent Schrodinger Equation
Steady-state total wave function Frequency ω

 jEt 
Ψ ( x,t ) = ψ ( x)exp − 
  
Schrödinger’s equation in one dimension

d 2ψ 2m
+ 2 ( E − U )ψ =
0
dx 2

Schröndinger’s equation in three dimensions

∂ ψ ∂ ψ ∂ ψ 2m
2 2 2
+ 2 + 2 + 2 ( E − U )ψ =
0
∂x 2
∂y ∂z 
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 31
Free Electron and the Schrödinger Equation

Schrödinger’s equation in one dimension

d 2ψ 2m
+ 2 ( E − U )ψ =
0
dx 2

V=0
d 2ψ 2m
+ 2 Eψ = 0
dx 2

Traveling right Traveling left
ψ ( x) = Aexp(+ jkx ) ψ ( x) = Aexp(− jkx )

Ψ ( x,t ) = Aexpj (kx − ωt ) Ψ ( x,t ) = Aexpj (− kx − ωt )

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 32
Free Electron and the Schrödinger Equation

ψ ( x) = Aexp(+ jkx )

d 2ψ 2m
+ 2 Eψ = 0
dx 2


(k ) 2
E=
2me

h
p = k =
λ
De Broglie relation
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 33
 Electron in a one-dimensional infinite PE well

The electron is confined

Where is the electron?

What is the electron’s energy?

Fig 3.16
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 34
 Electron in a one-dimensional infinite PE well

ψ(x) = 0 ψ(x) = 0

ψ(x) = ψ(0) = 0 ψ(x) = ψ(a) = 0

d 2ψ 2me
+ 2 Eψ = 0
dx 2


ψ(x) = Aexp(jkx) +Bexp(−jkx)

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 35
 Electron in a one-dimensional infinite PE well

ψ(x) = Aexp(jkx) + Bexp(−jkx)

x = 0 boundary
ψ(0) = Aexp(0) + Bexp(0) = 0 Α = −Β

∴ ψ(x) = Aexp(jkx) − Aexp(−jkx)

∴ ψ(x) = 2Ajsin(kx)
x = a boundary
ψ(a) = 2Ajsin(ka) = 0
∴ ka = nπ n = 1,2,3… a quantum number (QN)
nπ
∴ k= = k n k is quantized
a
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 36
 Confinement leads to quantization
nπ
kn =
a
n = 1,2,3… a quantum number (QN)
k is quantized

ψn(x) = 2Ajsin(knx) = 2Ajsin(nπx/a)

The electron can only have certain wavefunctions: Eigenfunctions

 nπx 
ψ n = 2 Aj sin   Electron eigenfunctions
 a 

d 2ψ 2me Energy of
+ 2 Eψ = 0 the electron
dx 2

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 37
 Confinement leads to quantization
k n h 2 n 2
En = =
2m 8ma 2
The energy of the electron is quantized: eigenenergies

Fig 3.16
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 38
 Nodes and Parity
Energy increases
with the number of
modes

Parity must change

in photon emission
and absorption

Photon absorption
Electron is excited
from E1 to E2
Fig 3.16
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 39
 Summary of Infinite Potential Well

Fig 3.16
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 40
 Summary of Infinite Potential Well
Wavefunction in an infinite PE well

 nπx 
ψ n ( x) = 2 Aj sin  
 a 
Electron energy in an infinite PE well

 (πn) h n 2 2 2 2
En = 2
= 2
2ma 8ma
Energy separation in an infinite PE well

h (2n + 1) 2
∆E = En +1 − En = 2
8ma

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 41
 Electron wavefunction

 nπx 
ψ n = 2 Aj sin  
 a 
What is A? How do we find A?

+∞ a a

∫ψ ( x) dx = ∫ 2 Aj sin( nπx / a ) dx =1
2 2

∫ ψ n( x) dx = 1
2
n
−∞ 0 0

Normalization
1
A=
2a
 nπx 
1/ 2
2
ψ n = j   sin  
a  a 
Electron wavefunctions (eigenfunctions)
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 42
Electron in a finite PE well: The electron is still confined

A finite potential energy well has zero The electron wavefunctions in the
potential energy (V = 0) inside the well (0 finite PE well
≤ x ≤ a) but a finite potential energy (V =
Vo) outside the well (x < 0 and x > a). The
PE function has a center of symmetry at x
= a∕2.
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 43
Electron in a finite PE well: The electron is still confined

dψ dψ
ψ, : continuous ψ, : continuous
dx dx

dψ dψ
ψ, →0 ψ, →0
dx dx

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 44
Electron in a finite PE well: The electron is still confined

Finite PE well Infinite PE well

A finite PE well that has a width 2 nm and a barrier height of 0.5 eV. There are
only three allowed energy levels. The dashed energy lines are the first two levels
of the infinite well. (The third energy level is not shown.)

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 45
Tunneling
Quantum Leak

(a) The roller coaster released from A can at most make it to C, but not to E. Its PE at A is less than the PE at D.
When the car is at the bottom, its energy is totally KE. CD is the energy barrier that prevents the car from making
it to E. In quantum theory, on the other hand, there is a chance that the car could tunnel (leak) through the
potential energy barrier between C and E and emerge on the other side of hill at E. (b) The wave function for the
electron incident on a potential energy barrier (Vo). The incident And reflected waves interfere to give ψ1(x).
There is no reflected wave in region III. In region II, the wave function decays with x because E < Vo.
Fig 3.19
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 46
 Tunneling: Quantum Leak
Vo > E

d 2ψ 2m
+ 2 (E − Vo )ψ = 0
dx 2 

d 2ψ 2m
V=0 + Eψ = 0
dx 2 2

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 47
 Electron wavefunctions in tunneling
ψΙ(x) = A1exp(jkx) + A2exp(−jkx)
ψΙΙ(x) = B1exp(αx) + B2exp(−αx)
ψΙΙΙ(x) = C1exp(jkx)

dψ
ψ and are continuous
dx dψ
ψ and are continuous
dx

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 48
 Electron wavefunctions in tunneling
ψΙ(x) = A1exp(jkx) + A2exp(−jkx)
ψΙΙ(x) = B1exp(αx) + B2exp(−αx)
ψΙΙΙ(x) = C1exp(jkx)

You can substitute these solutions back into the SE to show

2me E 2me (Vo − E )
k2 = α2 =
2 2

k is taken as positive Note Vo > E, so α is real and

positive

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 49
 Tunneling Phenomenon: Quantum Leak

Probability of tunneling

ψ III ( x)
2
C12 1
T= = 2 =
ψ I ( x)
2
A1 1 + D sinh 2 (αa )

Probability of tunneling through

16 E (Vo − E )
T = To exp(−2αa ) where To = 2
Vo
Reflection coefficient R

A22
R = 2 = 1− T
A1

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 50
 Scanning Tunneling Microscope

Fig 3.20
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 51
 Scanning Tunneling Microscopy (STM) image of a graphite surface where
contours represent electron concentrations within the surface, and carbon rings
are clearly visible. The scale is in 2 Å.
|Courtesy of Bruker.

Fig 3.21
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 52
 Scanning Electron Microscope
STM’s inventors Gerd Binning (right) and
Heinrich Rohrer (left), at IBM Zurich
Research Laboratory with one of their
early devices. They won the 1986 Nobel
prize for the STM. © Emilio Segre Visual
Archives/American Institute of
Physics/Science Source.

An STM of Si (111) surface An STM image of Si (111) crystal surface.

Courtesy of Jun’ichi Kanasaki, Osaka University © Andrew Dunn/Alamy Stock Photo RF

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 53
 3D Infinite Potential Energy Well: Potential
Box

Electron confined in three dimensions by a three-dimensional infinite PE box.

Everywhere inside the box, V = 0, but outside, V = ∞. The electron cannot escape
from the box.
Fig 3.22
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 54
 Potential Box: Three Quantum Numbers
Electron wavefunction in infinite PE well

 n1πx   n2πy   n3πz 

ψ n1n2 n3 ( x, y, z ) = A sin   sin   sin  
 a   b   c 
Electron energy in infinite square (cubic) PE box with a = b = c

En1n2 n3 =
(
h 2 n12 + n22 + n32 h 2 N 2
=
)
2
8ma 8ma 2
N =n +n +n
2 2
1
2
2
2
3
Lowest energy or the ground energy is

E111 =
h 2 12 + 12 + 12
=
( 3h 2 )
2
8ma 8ma 2
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 55
 Cubic Potential Box: Three Quantum Numbers
Electron wavefunction in infinite cubic PE well
 n1πx   n2πy   n3πz 
ψ n n n ( x, y, z ) = A sin   sin   sin  
 a   a   a 
1 2 3

Electron energy in infinite cubic PE box

En1n2 n3 =
(
h 2 n12 + n22 + n32 h 2 N 2
=
) N 2 = n12 + n22 + n32
2
8ma 8ma 2
Consider n1 = 4, n2 = 4 and n3 = 3 N 2 = 4 2 + 4 2 + 32 = 41
Consider (n1, n2, n3) choices that gives N2 = 41, and the same E443
These are (4,4,3), (4,3,4), (3,4,4), (6,2,1), (6,1,2), (2,6,1), (2,1,6),
(1,6,2) and (1,2,6)
TOTAL possibilities: 9 states
ψ 443 ;ψ 434 ;ψ 344 ;ψ 621 ;ψ 612 ;ψ 261 ;ψ 216 ;ψ 162 ;ψ 126
E443 is nine-fold degenerate
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 56
 Hydrogen Atom

 The electron is confined in 3D

 We expect 3 quantum numbers

The electron in the hydrogenic atom is

attracted by a central force that
is always directed toward the positive
Nucleus.

Spherical coordinates centered at the

nucleus are used to describe the position
of the electron. The PE of the electron
depends only on r.

Fig 3.23
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 57
 Electron wavefunctions and the electron energy are
obtained by solving the Schrödinger equation
Electron’s PE V(r) in hydrogenic atom is used in the Schrödinger
equation
− Ze 2
V (r ) =
4πε o r

2m
∇ ψ + 2 ( E − U )ψ =
2
0


Electron wavefunctions and electron energy

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 58
 Use spherical coordinates
− Ze 2 PE has
V (r ) = spherical
4πε o r symmetry

Schrodinger Equation in spherical coordinates

ψ(r,θ,φ) = R(r)Y(θ,φ) Electron energy

Radial function Spherical harmonic

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 59
 Use spherical coordinates
ψ(r,θ,φ) Cartesian Spherical

x r
y θ
z φ
Sperical harmonic

ψ (r , θ , φ ) = ψ n , ,m (r , θ , φ ) = Rn , (r )Y ,m (θ , φ )
 

Electron wavefunction
Electron orbital Radial function
n

Quantum numbers in hydrogenic atom
m
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 60
 “Boundary Conditions”

ψ(r, θ, φ) = ψ(r, θ, φ + 2π)

m = Magnetic Quantum Number = 0, ±1, ± 2, … ± 

ψ(r, θ, φ)  0 as r  ∞

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 61
 Three Quantum Numbers
n = Principal Quantum Number = 1,2,3…
Quantizes the energy of the electron

 = Orbital Angular Momentum Quantum Number =

0, 1, 2,… (n – 1) < n
Quantizes the orbital angular momentum

m = Magnetic Quantum Number = 0, ±1, ± 2, … ± 

Quantizes the orbital angular momentum component
along a magnetic field

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018)
62
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 63
 Radial Part R(r) = Rn,(r)

(a) Radial wavefunctions of the electron in a hydrogenic atom for various n and  values.
(b) R2 |Rn,2| gives the radial probability density. Vertical axis scales are linear in arbitrary
units.
Fig 3.24
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 64
 Electron energy is quantized
Electron energy in the hydrogenic atom is quantized.
n is a quantum number = 1, 2, 3,…
4 2
me Z
En = − 2 2 2
8ε o h n
Ionization energy of hydrogen: energy required to remove the electron from
the ground state in the H-atom

4
me −18
EI = 2 2 = 2.18 ×10 J = 13.6 eV
8ε o h
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 65
(a) The polar plots of Yn,(θ, φ) for 1s and 2p states.
(b) The angular dependence of the probability distribution, which is proportional to
| Yn,(θ, φ)|2.
Fig 3.25
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 66
 The energy of the electron in the hydrogen atom (Z = 1)

me 4 Z 2
En = − 2 2 2
8ε o h n

Fig 3.26
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 67
 Characteristic Emission and Absorption Spectra
n=2 n=2
Emission spectrum
Photon

n=1 n=1 λ λ
Eph = hf = E2 – E1 Emitted

Emission
wavelength

n=2 n=2
Absorption spectrum
Photon

λ n=1 n=1
λ
Eph = hf = E2 – E1 Absorbed
Absorption wavelength

The physical origin of spectra

Fig 3.27
From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 68
 Next Topic

Band Theory of Solids

From Principles of Electronic Materials and Devices, Fourth Edition, S.O. Kasap (© McGraw-Hill Education, 2018) 69