BRAINWARE UNIVERSITY

[PEC-ECEL601A] CLASS NOTES [NANO ELECTRONICS]

Why properties of Nanomaterial are different from that of bulk material?

❖ Changed interplanner distance
❖ For the nanomaterial (λ ~λ0) potential energy term must have different value with respect to
the bulk because of lattice compression near the surface
❖ Low co-ordination number

Quantum Nano science

❖ Quantum nanoscience is the basic research area at the intersection of nanoscale science and
quantum science that creates the understanding that enables development of
nanotechnologies.
❖ It uses quantum mechanics to explore and utilize coherent quantum effects in engineered
nanostructures.
❖ This may eventually lead to the design of new types of nanodevices and nanoscopic scale
materials, where functionality and structure of quantum nanodevices are described through
quantum phenomena

Basic postulates of Quantum Mechanics

The space time behaviour of a particle in physical system can be described by an associated
wave function ψ(x,y,z,t). This function and its space derivative are continuous, single valued and
finite.

The probability that the particle will be found in the volume element dτ (i.e. dxdydz) is ψ*ψdτ.
Since the total probability of finding the particle somewhere in the space must be equal to 1

+

P=  *d = 1
−

Schrodinger’s Wave Equation

Schrodinger’s wave equation describes the behaviour of wave function associated with matter
waves under different physical situations.

Time dependent Schrodinger’s wave equation

Time independent Schrodinger’s wave equation

Time dependent Schrodinger’s wave equation

Let us consider a plane monochromatic wave moving along x direction and is represented by

(x,t)=Aei(kx−t)

2022-23 Prepared by: ANU SAMANTA (Brainware University, Barasat)

 BRAINWARE UNIVERSITY
[PEC-ECEL601A] CLASS NOTES [NANO ELECTRONICS]

Where,
2
 = 2;k =

According to quantum theory,
h
E = h = 2 = 
2
h
p = = h 2 = k
 2 

The total energy of a free particle of mass m moving along x-direction

2 2 2
E = px = k
2m 2m

Only kinetic energy as free particle has no potential energy but it has constant momentum p
Again we know,

(x, t) = Aei(kx−t)


= −i  i  
=   i = E
t t t (1)

 ik   
2
= = −k2
x 2 2 x 2

− =
2
k2  −
2
2 p2x  = E
=
2m x2 2m 2m x2 2m (2)

Comparing (1) and (2),

(x, t ) 2
 2  ( x, t )
i =−
t 2m x2
This is the one dimensional time dependent Schrodinger wave equation for a free particle m. For
three dimensional motion,

2022-23 Prepared by: ANU SAMANTA (Brainware University, Barasat)

 BRAINWARE UNIVERSITY
[PEC-ECEL601A] CLASS NOTES [NANO ELECTRONICS]

 r, t ( ) =−
( )
2
i  2  r, t
t 2m
When a particle is moving along x-axis with small velocity compared to that light under an
external force field F, its total energy is the sum of its kinetic energy and potential energy

2
p
E = x + V ( x, t )
2m
2
px
  ( x, t ) + V ( x, t )  ( x, t ) = E ( x, t )
2m
2
 2  ( x, t )  ( x, t )
−
2m x2
+ V ( x, t )  ( x, t ) = i
t

This is the one dimensional time dependent Schrodinger wave equation

Time independent Schrodinger’s wave equation

In this case, the potential energy is function of position. Therefore, V(x,t) = V(x)

The one dimensional Schrodinger wave equation is given by

 2  ( x, t )
2
 ( x, t )
− + V ( x, t )  ( x, t ) = i
2m x2 t
In this case, the wave function can be written as

 ( x, t ) =  ( x ) f ( t )

2022-23 Prepared by: ANU SAMANTA (Brainware University, Barasat)

 BRAINWARE UNIVERSITY
[PEC-ECEL601A] CLASS NOTES [NANO ELECTRONICS]

f ( t ) 2(x)
2

i (x) =− f (t) + V ( x )  ( x ) f (t )
t 2m x 2
1 f ( t ) 2
1 2(x)
i =− + V(x)
f ( t ) t 2m  ( x ) x2

This only possible when they are separately equal to a constant and it is equal to E

1 2(x)
2
− + V(x) = E
2m  ( x ) x 2

2(x) 2
− + V ( x )  ( x ) = E ( x )
2m x 2

This is the one dimensional time independent Schrodinger wave equation

Thus, 3-dimensional time independent Schrodinger wave equation can be written as

() () () ()
2
−  2  r + V r  r = E r
2m
1 df ( t ) df ( t )
i =Ei = Ef ( t )
f ( t ) dt dt
df ( t ) iE df ( t ) iE
 = − f (t)  = − dt
dt f ( t)

2022-23 Prepared by: ANU SAMANTA (Brainware University, Barasat)

 BRAINWARE UNIVERSITY
[PEC-ECEL601A] CLASS NOTES [NANO ELECTRONICS]

iE
ln f ( t ) = − t + ln C

f (t) iE iE
− t
 ln = − t  f ( t ) = Ce
C
Physical significance of wave function

❖ It gives the space-time behaviour of each quantum mechanical particle.

❖ It measure the probability of finding a particle about a position.

❖ It should be continuous, single valued and finite.

Application of Schrodinger Equation: Particle in a one dimensional box

Let us consider a free particle of rest mass m is trapped in an infinity deep potential energy well
of width L. Mathematically the potential well can be represented as

V(x) = 0 at 0 < x < L

V(x) =  otherwise

Since the potential energy is independent of time, the one dimensional time independent
Schrodinger’s wave equation is

2022-23 Prepared by: ANU SAMANTA (Brainware University, Barasat)

 BRAINWARE UNIVERSITY
[PEC-ECEL601A] CLASS NOTES [NANO ELECTRONICS]

2
d2(x)
− + V ( x )  ( x ) = E ( x )
2m2 dx2
d (x)
2m

dx2
+  E − V ( x )   ( x ) = 0
2 

The one dimensional time independent Schrodinger’s wave equation for a free particle in the
region V(x) = 0 is given by

d 2  ( x ) 2m
2
+ 2 E ( x ) = 0
dx
d (x)
2

 2
+ k 2(x ) = 0
dx
The general solution is given by

 ( x ) = Acoskx + Bsin kx
Now we know from the boundary condition,

When x = 0, then from (1) , A = 0

So the equation becomes

 ( x ) = Bsin kx
Again at x=L,

2022-23 Prepared by: ANU SAMANTA (Brainware University, Barasat)

 BRAINWARE UNIVERSITY
[PEC-ECEL601A] CLASS NOTES [NANO ELECTRONICS]

Bsin kL = 0

sin kL = 0  sin kL = sin n

n
k=
L

Where n = 1,2,3….

nx
n ( x ) = Bsin
L
2
  n2h2
2
E = n
  =
n 2m  L  8mL2
For normalize condition,

+

  * ( x )  ( x ) dx = 1
−
n n

Therefore,

  * ( x )  ( x ) dx = 1
0
n n

L
nx B2 L  2nx 
  B 2 sin2 dx = 1  1 − cos dx = 1
0 L 2 0 L 
B2 2
 L =1 B =
2 L

2022-23 Prepared by: ANU SAMANTA (Brainware University, Barasat)

 BRAINWARE UNIVERSITY
[PEC-ECEL601A] CLASS NOTES [NANO ELECTRONICS]

So, The normalized wave function is

2 nx
n ( x ) = sin
L L
Find the probability that a particle in one-dimensional potential box of length L can be found in
between 0.40 L and 0.60 L for ground state.

Degeneracy

The property of two or more independent quantum states of a particle for the same value of
energy is called degeneracy. The corresponding quantum states are called degenerate states.

2022-23 Prepared by: ANU SAMANTA (Brainware University, Barasat)