Basic Quantum Mechanics

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 Quantum Physics

Introduction to Quantum Theory

•Wave functions

•Significance of wave function

•Normalisation

•The time-independent Schrodinger Equation.

•Solutions of the T.I.S.E

 The de Broglie Hypothesis
In 1924, de Broglie suggested that if waves of wavelength
λ were associated with particles of momentum p=h/λ,
then it should also work the other way round…….

A particle of mass m, moving with velocity v has

momentum p given by:

h
p  mv 

 Kinetic Energy of particle

2 2 2 2
p h  k
KE   
2m 2m 2
2m

If the de Broglie hypothesis is correct, then a stream of

classical particles should show evidence of wave-like
characteristics……………………………………………
 Standing de Broglie waves

Eg electron in a “box” (infinite potential well)

V= V= V= V=

V=0 V=0
Electron “rattles” to and fro Standing wave formed
Wavelengths of confined states

In general, k =nπ/L, n= number of

antinodes in standing wave

2L 3
 ;k 
3 L
2
  L;k 
L

  2L ; k 
L
Energies of confined states

 k2
 n
2 2 2 2
E  2
2m 2mL

En  n 2 E1

 2 2
E1  2
2mL
Energies of confined states

En  n E1
2 2 2
E1  2
2mL
 Particle in a box: wave functions

From Lecture 4, standing wave on a string has form:

y ( x, t )  ( A sin kx) sin(t )

Our particle in a box wave functions represent

STATIONARY (time independent) states, so we write:

 ( x)  A sin kx

A is a constant, to be determined……………
 Interpretation of the wave function

The wave function of a particle is related to the probability

density for finding the particle in a given region of space:

Probability of finding particle between x and x + dx:

 ( x) dx
2

Probability of finding particle somewhere = 1, so we have

the NORMALISATION CONDITION for the wave
function:


  ( x) dx  1
2


Interpretation of the wave function
 Interpretation of the wave function
Normalisation condition allows unknown constants in the
wave function to be determined. For our particle in a box
we have WF:

nx
 ( x)  A sin kx  A sin
L
Since, in this case the particle is confined by INFINITE
potential barriers, we know particle must be located
between x=0 and x=L →Normalisation condition reduces
to :
L

  ( x) dx  1
2

0
Particle in a box: normalisation of wave functions

 nx 
L L

  ( x) dx  1 A  sin  dx  1
2 2 2

0 0  L 

2 nx
 ( x)  sin
L L
 Some points to note…………..

So far we have only treated a very simple one-dimensional

case of a particle in a completely confining potential.

In general, we should be able to determine wave functions

for a particle in all three dimensions and for potential
energies of any value

Requires the development of a more sophisticated

“QUANTUM MECHANICS” based on the SCHRÖDINGER
EQUATION…………………
 The Schrödinger Equation in 1-dimension
(time-independent)

 d  ( x)
2 2
 2
 V ( x ) ( x )  E ( x )
2m dx

KE Term
PE Term
Solving the Schrodinger equation allows us to calculate
particle wave functions for a wide range of situations (See
Y2 QM course)…….

Finite potential well

WF “leakage”, particle has finite probability of being found in barrier:

CLASSICALLY FORBIDDEN
Solving the Schrodinger equation allows us to calculate
particle wave functions for a wide range of situations (See
Y2 QM course)…….

Barrier Penetration (Tunnelling)

Quantum mechanics allows particles to travel through “brick walls”!!!!

Solving the SE for particle in an infinite potential well

V ( x)  0 0xL

So, for 0<x<L, the time independent SE reduces to:

 2 d 2 ( x) d 2 ( x) 2mE ( x)
 2
 E ( x) 2
 2
0
2m dx dx 

General Solution:

1/ 2 1/ 2
 2mE   2mE 
 ( x)  A sin  2  x  B cos 2  x
     
 1/ 2 1/ 2
 2mE   2mE 
 ( x)  A sin  2  x  B cos 2  x
     
Boundary condition: ψ(x) = 0 when x=0:→B=0

1/ 2
 2mE 
 ( x)  A sin  2  x
  
Boundary condition: ψ(x) = 0 when x=L:

 2mE 
1/ 2
n 
2 2 2

 (0)  A sin  2  L  0 E 2
   2mL
 nx
 ( x)  A sin
L
In agreement with the “fitting waves in boxes” treatment earlier………………..
Classical Mechanics and Quantum Mechanics

Mechanics: the study of the behavior of

physical bodies when subjected to forces or
displacements

Classical Mechanics: describing Quantum Mechanics: describing

the motion of macroscopic objects. behavior of systems at atomic
length scales and smaller .
Macroscopic: measurable or
observable by naked eyes

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 Photoelectric Effect
Emitted electron

Tmax
Incident light with
frequency ν kinetic energy = T

0
Metal Plate νo ν

The photoelectric effect ( year1887 by Hertz) Experiment results

• Inconsistency with classical light theory
According to the classical wave theory, maximum kinetic energy of the photoelectron
is only dependent on the incident intensity of the light, and independent on the light
frequency; however, experimental results show that the kinetic energy of the
photoelectron is dependent on the light frequency.

Concept of “energy quanta” 23

 Energy Quanta

• Photoelectric experiment results suggest that the energy in

light wave is contained in discrete energy packets, which are
called energy quanta or photon
• The wave behaviors like particles. The particle is photon

Planck’s constant: h = 6.625×10-34 J-s

Photon energy = hn
Work function of the metal material = hno
Maximum kinetic energy of a photoelectron: Tmax= h(n-no)

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 Electron’s Wave Behavior
Nickel sample

Electron beam θ =0

Scattered θ =45º
beam
θ =90º
Detector

Davisson-Germer experiment (1927)

Electron as a particle has wave-like behavior

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 Wave-Particle Duality

Particle-like wave behavior Wave-like particle behavior

(example, photoelectric effect) (example, Davisson-Germer experiment)

Wave-particle duality

Mathematical descriptions:
h
The momentum of a photon is: p

h
The wavelength of a particle is: 
p
λ is called the de Broglie wavelength
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 The Uncertainty Principle
The Heisenberg Uncertainty Principle (year 1927):
• It is impossible to simultaneously describe with absolute accuracy the
position and momentum of a particle

p x  
• It is impossible to simultaneously describe with absolute accuracy the
energy of a particle and the instant of time the particle has this energy

E t  
The Heisenberg uncertainty principle applies to electrons and states
that we can not determine the exact position of an electron. Instead, we
could determine the probability of finding an electron at a particular
position.

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 Quantum Theory for Semiconductors

How to determine the behavior of electrons )and

holes) in the semiconductor?

• Mathematical description of motion of electrons in quantum

mechanics ─ Schrödinger’s Wave Equation

• Solution of Schrödinger’s Wave Equation energy band

structure and probability of finding a electron at a particular
position

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 Schrӧdinger’s Wave Equation
One dimensional Schrӧdinger’s Wave Equation:

  2  2 ( x, t ) ( x, t )
 V ( x)( x, t )  j
2m x 2
t
( x, t ) : Wave function

( x, t ) dx
2
, the probability to find a particle in (x, x+dx) at time t

 ( x, t )
2
, the probability density at location x and time t
V (x ) : Potential function

m: Mass of the particle

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