MOTION OF AN ELECTRON IN ONE DIMENSIONAL

POTENTIAL WELL (PARTICLE IN A BOX)

Consider an electron of mass m, moving along positive x-axis between two walls of
infinite height, one located at x=0 and another at x=a. Let potential energy of the
electron is assumed to be zero in the region in-between the two walls and infinity in
the region beyond the walls.

V  0 for 0  x  a
V= V=0 V=
V  for x  0 & x  a

X=0 X=a

X-axis 1
 Region beyond the walls:
The Schrodinger’s wave equation representing the motion of the particle in the region beyond the two
walls is given by

d 2 8  2 m
2
  E     0 V= V=0 V=
dx h2
X=0 X=a
The only possible solution for the above equation is ψ=0. X-axis
Since ψ=0 , the probability of finding the particle in the region x<0 and x>a is Zero . i.e.,
particle cannot be found in region beyond the walls.

Region between the two walls:

The Schrodinger’s wave equation representing the motion of the particle in the region
between the two walls is given by

d 2 8  2 m
  E  0   0 V  0 V= V=0 V=
dx 2 h2
X=0 X=a
X-axis 2
 d 2 8 2 mE
2
 2
  0
dx h
d 2
2
  2
 0 1 V= V=0 V=
dx
8  2 mE
where   2
1a
h2 X=0 X=a

X-axis
Solution of the equation 1 is of the form

  A sin x  B cos x 2
Where A and B are unknown constants to be determined. Since particle cannot be
found inside the walls

at x  0 ,   0 I
and at x  a ,   0 II
3
The equations are called boundary conditions. Using the I boundary condition in equation 2,
we get

0  A sin 0  B cos 0
B  0

Therefore equation 2 becomes

  A sin x 3

Using condition II in equation 3 we get

0  A sin a
 A  0 sina  0
 a  n
where n  0,1,2,......
n
 
a 4
Therefore correct solution of the equation 1 can be written as

n
 n  A sin x 4
a

The above equation represents Eigenfunctions. Where n=1,2,3,..

(n=0 is not acceptable because, for n=o the wavefunction ψ becomes zero for all values of
x. Then particle cannot be found anywhere)

Substituting for  in equation 1a we get

 
2
 
2
n 8 mE
  
 
2
a h

Therefore energy Eigenvalues are represented by the equation

n2h2
En  5
8ma 2
5
• Boundary conditions of the potential dictate that the wave function must be
zero at x = 0 and x = L.

• The wave function is now

• We normalize the wave function

• The normalized wave function becomes

 Particle in the Infinite Potential Well

2  x 
n  sin  n
a  a 
n defines states, we take n  0
th
Energy for the n state is
 2 2
En  2
n 2

2ma
How do Electrons and Holes Populate the Bands?

 Density of States Concept

The number of conduction band

gc ( E ) dE states/cm3 lying in the energy range
between E and E + dE
(if E  Ec).

The number of valence band

gv ( E ) dE states/cm3 lying in the energy range
between E and E + dE
(if E  Ev).

General energy dependence of

gc (E) and gv (E) near the band edges.
 How do electrons and holes populate the bands?

 Probability of Occupation (Fermi Function) Concept

 Now that we know the number of available states at each energy, then
how do the electrons occupy these states?
 We need to know how the electrons are “distributed in energy”.
 Again, Quantum Mechanics tells us that the electrons follow the
“Fermi-distribution function”.

1 Ef ≡ Fermi energy (average energy in the crystal)

f (E)  ( E  E f ) / kT k ≡ Boltzmann constant (k=8.61710-5eV/K)
1 e T ≡Temperature in Kelvin (K)

 f(E) is the probability that a state at energy E is occupied.

 1-f(E) is the probability that a state at energy E is unoccupied.

 Fermi function applies only under equilibrium conditions, however, is

universal in the sense that it applies with all materials-insulators,
semiconductors, and metals.
 How do electrons and holes populate the bands?

 Fermi-Dirac Distribution

Ef