Physics 355

Energy Bands in Solids

Conductors, Insulators, and Semiconductors

Consider the available energies for electrons in the materials.

As two atoms are brought

close together, electrons
must occupy different
energies due to Pauli
Exclusion principle.

Instead of having discrete

energies as in the case of
free atoms, the available
energy states form bands.

Free Electron Fermi Gas

For free electrons, the

wavefunctions are plane
waves:

(r) e

i ( k r )

2k 2
E

2m

Band Gap
zone boundary

thermally
excited

doped

Origin of the Band Gap

To get a standing wave at the boundaries, you can
take a linear combination of two plane waves:
1 2 e

ix / a

ix / a

x
2 cos

a
1 eikx eix /+

x / a
2 e ikx e i

1 2 e

i x / a

i x / a

x
2i sin

Origin of the Band Gap

Electron Density

Origin of the Band Gap

Bloch Functions
Felix Bloch showed that the actual
solutions to the Schrdinger equation for
electrons in a periodic potential must have
the special form:

k ( r ) uk ( r )e

i ( k r )

where u has the period of the lattice, that

is

uk ( r ) uk ( r T )

Kronig-Penney Model
U(x)
U0

(a+b)

a+b

The wave equation can be solved when the potential is

simple... such as a periodic square well.

Kronig-Penney Model
2 d 2

U ( x )
2
2m dx
Region I - where 0 < x < a and U = 0
The eigenfunction is a linear combination of plane waves
traveling both left and right:

AeiKx Be iKx
The energy eignevalue is:

2K 2

2m

Kronig-Penney Model
2 d 2

U ( x )
2
2m dx
Region II - where b < x < 0 and U = U0
Within the barrier, the eigenfunction looks like this

CeQx De Qx
and
2

Q
U0
2m

Kronig-Penney Model
U(x)
U0

II
(a+b)

I
0

III
a

a+b

To satisfy Mr. Bloch, the solution in region III

must also be related to the solution in region II.

III II eik ( a b)

Kronig-Penney Model
A,B,C, and D are chosen so that both the wavefunction
and its derivative with respect to x are continuous at
the x = 0 and a.
At x = 0...

At x = a...

A B C D
iK ( A B ) Q (C D )

III II eik ( a b)

Ae iKa Be iKa (CeQb De Qb )eik ( a b)

iK AeiKa Be iKa Q Ce Qb DeQb eik ( a b)

Kronig-Penney Model
Result for E < U0:

Q2 K 2
sinh Qb sin Ka cosh Qb cos Ka cos k ( a b)
2QK
To obtain a more convenient form Kronig and Penney considered the
case where the potential barrier becomes a delta function, that is, the
case where U0 is infinitely large, over an infinitesimal distance b, but the
product U0b remains finite and constant.

Q2 U0
and also goes to infinity as U0. Therefore:

Lim (Q 2 K 2 ) Q 2

U 0

Kronig-Penney Model
What happens to the product Qb as U0 goes to infinity?
b becomes infinitesimal as U0 becomes infinite.
However, since Q is only proportional to the square
root of U0, it does not go to infinity as fast as b goes to
zero.
So, the product Qb goes to zero as U0 becomes
infinite.
As a results of all of this...

sin Qb Qb 1
cos Qb 1
Q K

Kronig-Penney Model
Q 2ba
P

P
sin Ka cos Ka cos ka
Ka

Kronig-Penney Model

Plot of energy versus

wavenumber for the
Kronig-Penney Potential,
with P = 3/2.

ka
0

ka

Conductors, Insulators, and Semiconductors

Crucial to the
conduction process
is whether or not
there are electrons
available for
conduction.

Conductors, Insulators, and Semiconductors

Conductors, Insulators, and Semiconductors

Conductors, Insulators, and Semiconductors

thermally
excited

doped