PH 107: Quantum Physics and Application

Instructor

Sudipta Kanungo
School of Physical Sciences

contact: sudipta@iitgoa.ac.in
F-15, Academic Block B
PH 107: Quantum Physics and Application
Scope of the course
 Schrodinger’s Equation: concept and perception
 Concept and properties of the “Quantum” operators
 Quantum particle under different filed: Eigen value and Eigen states
 Identical particles: Boson and Fermions
 Concept of “Spin” angular moment: evidence, experiments and theory
 Quantum Statistics of identical particles: MB, BE and FD

 Application of Quantum Mechanics + Quantum Statistics

 Boson systems: BE condensation, LASER
 Fermion systems: electronic band theory, semiconductor,
superconductor, nuclear phenomena
 Recap of Quantum theory till now (Dr. Santosh Kr. Das)

 Black body radiation  Energy Quantization  no classical explanation

Wave-Particle duality  de Broglie’s hypothesis

 Superposition of many waves  Concept of Matter Wave  Wave Function

 Heisenberg Uncertainty Principles canonical conjugate variables

• Should satisfy uncertainty relations

• Method must be probabilistic NOT deterministic

Need a equation that can describes successfully

the behavior of Quantum particles
Classical Wave equation
Alternate method in classical physics: Hamiltonian mechanics

• Ex. One dimensional SHM:

• Newtonian approach: write down force equation

2
k
d x
m 2  kx
dt
 x  ASint  BCost

• Hamiltonian approach: write down total energy equation

2
p 1 2
H ( p, x)  T ( p)  V ( x)   kx x
2m 2
Alternate method in classical physics: Hamiltonian mechanics

H px
x   x 
p x m
H
p x    x  kx
x
mx  kx  0 Same equation of motion as obtained from
Newton’s force equation
Alternate method in classical physics: Hamiltonian mechanics

In general case

H  H (q1 , q2 ,...qk ...qn , p1 , p2 ,... pk ... pn , t )

 Hamilton’s equation of motion

H H
q k  and  p k 
pk qk

Generalized canonical conjugate variables

Alternate method in classical physics: Hamiltonian mechanics

H ( p, x)
• For conservative (dissipation less) system, 0
t
• Take the time derivative of the both sides

1 dpx dx
px  kx 0
m dt dt
dv
 mv  kxv  0
dt
2
d x
 m 2  kx  0 Same equation of motion as obtained
from Newton’s force equation
dt
Alternate method in classical physics: Hamiltonian mechanics

• For dissipation less system,

• Take the time derivative of the both sides

dpx  Advantages of Hamiltonian formalism

1 dx
px  kx 0
m dt dt
dvx
 mv x  kxvx  0
dt
d 2x
 m 2  kx  0
dt
Alternate method in classical physics: Hamiltonian mechanics

• For dissipation less system,

• Take the time derivative of the both sides

dpx  Advantages of Hamiltonian formalism

1 dx
px  kx 0
m dt dt  Scalar equation
 Avoid constraint forces
dvx
 mv x  kxvx  0  First order linear differential equ.
dt
d 2x
 m 2  kx  0
dt

Can this method serve the purpose ???

Solution: Schrödinger Equation

• Schrodinger equation can not be derived.

• It can only be verified experimentally by extracting the results from
the Schrodinger’s equation.
 Method must be probabilistic.

 Assume that the trajectory (information) of a

particle’s behavior is described by a function called
“Wave Function Ψ (r,t)”

 The wave function in general a complex quantity

and there are no physical significance of Ψ (r,t) itself,
however |Ψ (r,t)|2 is large in region where the probability of the particle is large.
Schrödinger Equation

1D time dependent Schrodinger’s equation

Schrödinger Equation

• Can’t be derived but has the justification …………….

Schrödinger Equation

• Can’t be derived but has the justification …………….

 In Quantum mechanics every dynamical variables (of CM) are replaced
by the corresponding “Operators”
Operators

position...( x)  xˆ

momentum...( pˆ x )  i
x
ˆ  
2 2
kinetic...energy...(T )  
2m x 2
ˆ 
total...energy...( E )  i
t
potential...energy...(Vˆ )  Vˆ
 2
 2
Hamiltonian...( Hˆ )    Vˆ ( x, t )
2m x 2
We will come back operation discussion again ……
Physical interpretation of Ψ(x,t)

 ( x) ( x, t ) ( x, t )   ( x, t )  ( x)
* 2 2

 Ψ(x,t) is the wave function to describe the motion of a particle

and ρ (x) is proportional to the probability of finding the particle
at “x” in a given time t.
 Total probability of finding particle is whole space is 1.

Born Interpretation
Physical interpretation of Ψ(x,t)

 ( x, t )  A ( x, t ) ‘A’ is constant, adjusted such that

whole space integration should be 1.

Therefore

 total ( x)  A  ( x, t ) ( x, t )dx  1

2 *

 Normalization condition &

1 ‘A’ Normalization constant
A 
2


 ( x, t ) ( x, t )dx
 *



• Ψ(x,t) must be normalizable and square-integrable

Physical interpretation of Ψ(x,t): Probability density

 ( x, t ) ( x, t )
*
 ( x, t )  

 ( x, t ) ( x, t )
*


Physical Measurements in Quantum Mechanics

 Eigen value equation and Eigen states

 Expectation value
Physical Measurements in Quantum Mechanics

 Eigen value equation and Eigen states

For general operator (A) and wave function (ψ):

Aˆ  ( x)  a ( x) Aˆ  ( x)  a ( x)
 Physical Measurements in Quantum Mechanics

 Eigen value equation and Eigen states

 For general operator (A) and wave function (ψ):

Aˆ  ( x)  a ( x) Aˆ  ( x)  a ( x)
 ψ (x)  Eigen Function
 ‘a’  Eigen value

 If ‘a’ is real then it corresponds to actual

physical measurement
 Physical Measurements in Quantum Mechanics

 Eigen value equation and Eigen states

 For general operator (A) and wave function (ψ):

Aˆ  ( x)  a ( x) Aˆ  ( x)  a ( x)
 ψ (x)  Eigen Function
 ‘a’  Eigen value

 If ‘a’ is real then it corresponds to actual

physical measurement

Example

ˆA  d ; ( x)  Sin(kx)
dx
 Eigen Value Equation
Examples

2 2
 Let the Hamiltonian operator (Ĥ) Hˆ  
 d
2
 V ( x)
2m dx
 Time independent 1D Schrödinger Equation
 2 d 2 

 2m 2  V ( x )  ( x)  E ( x)
 dx 

Hˆ  ( x)  E ( x) Energy eigen value

Schrödinger Equation is a energy eigen value equation

 Characteristics of Eigen function

 ψ(x) must be single valued.

 ψ(x) must be square-integrable or its modulus square is finite.
 ψ(x) must be continuous every where.
 First derivative of ψ(x) must be continuous every where.
 ψ(x) must be finite or vanish at x ±∞

 What we can do with this eigen function and eigen values ??

 Characteristics of Eigen function

 ψ(x) and its first derivative must be single valued.

 ψ(x) must be square-integrable or its modulus square is finite.
 ψ(x) and its first derivative must be continuous every where.
 ψ(x) must be finite or vanish at x ±∞

 What we can do with this eigen function and eigen values ??

 We can find out the average values of the dynamical variables like; x, px
 This is the average value for the experimentally found position or any other
quantities of the particle when performed on the large number of similar particles.

 Expectation value
 Properties of Operators
 Let any operator Â, acting on the function f(x), giving another function g(x)
Aˆ f ( x)  g ( x)
 Linear Operator :

Aˆ c1 f1 ( x)  c2 f 2 ( x)  c1 Aˆ f1 ( x)  c2 Aˆ f 2 ( x) [c’s complex numbers]

Every operator corresponds to any dynamical variables must be linear

 Sum of two operators: Cˆ  Aˆ  Bˆ , if for every function [f(x)],

Cˆf ( x)  Aˆ f ( x)  Bˆ f ( x)

 Associative law of operators: Aˆ ( Bˆ Cˆ )  ( Aˆ Bˆ )Cˆ

 Commutative law for operators: Aˆ Bˆ  Bˆ Aˆ in general.

 If for any operator (Â), if its reciprocal exist (Â-1), called non-singular operator.
 Properties of Operators

 Commutation of operators:

Lets define, Aˆ , Bˆ   Aˆ Bˆ  BˆAˆ

if it is 0, then, it says that Âand B̂ commute with each others.

i.e Aˆ , Bˆ   0 , then Âand B̂ commute.

Suppose, Aˆ  xˆ; Bˆ  pˆ x for any function f(x)

x, p x  
E, t  
E, x 
 If two operator commutes, then they have simultaneous eigen states.
 Properties of Operators

 Hermitian operator

The operator † is called the hermitian conjugate (or adjoint) of Â, if

ˆ  ) *dx  ( * Aˆ  )dx
 ( A 
And the operator called Hermitian if

ˆ  ) *dx  ( * Aˆ  )dx
 ( A 

Prove that; x, px, T, H are the Hermitian operators

  Hermitian operator

 All operators that represent any physically measurable dynamical

variables are Hermitian.

 The eigen value of the Hermitian operators are always real.

    dx   *   * * dx
* Complex conjugate

So, if <α> = <α>* , then α is hermitian

  Hermitian operator: real eigen value

    dx   *   * * dx
* Complex conjugate

So, if <α> = <α>* , then α is hermitian …………………………..(1)

Complex conjugate
ˆ  a ˆ * *  a* *

    *dx  * adx  a  *dx …………………………..(2)

  *   * * dx a * * dx  a *  * dx …………………………..(3)

 Hermitian operator: properties

 a  *dx  a *  *dx

 a  a* Eigen value are real

 Product of two hermitian operator is also hermitian if they commute.

Probability Current Density

Normalized wave function

 ( x)   ( x, t ) ( x, t )
*


Probability current
t
  *   * 
j ( x)   
2im  x x 


 . j  0 Continuity equation
t
(Energy)
Energies for 1-D infinite box Wavefunctions for 1-D infinite box

0 L x
(classical)
photon.

photon.
Summary . . . .
 1D infinite box  1D finite box/well

V=∞ V=∞
 V0 for |x | < a/2
V(x)=
0 for |x| > a/2

 V(x)=V(-x)
 E1 > V0
(Scattering)

E2 ≤ V0

 V(x)=V(-x)

 consider only E2 ≤ V0 case

(called Parity operator)
------------------- (1)
 The roots of the transcendental equations will give the values of E.

Lets make some limiting values of V0, i.e

1. V0 >>> E (or V0  ∞) 2. V0 ≥ ≈ E
[V0 >>> E (or V0  ∞)]
Non-degenerate energies
 Case 2. V0 ≥ ≈ E
 Additional features both in symmetric and anti-symmetric eigen fucntions

 Eigen functions will NOT terminate at the boundary of the potential well/box.

 Eigen functions extend into classically forbidden regions (I & III) i.e. |x| > a/2

Classical Classical
Forbidden Forbidden
region region

 ψI (x) falls of exp (-kIx) and extend into forbidden region upto

k I1 
2m(V0  E )
Eigen functions for finite potential box/well
Why do we need to care about all these at all !!!!!!!

 Quantum Confinement :
if, separation of two particle ≈ de Broglie’s wave length

 all behaviors at the electronic length scales…………

 Nano regime (i.e nano-particle, nano wire, nano sheet etc.)

Semiconductor “nano-particles”: Quantum Dots
Catchy example: Graphene

Prof. Andre Geim & Prof. Konstantin Novoselov

Nobel Prize in Physics: 2010
Stationary States