EE311

Introduction to Semiconductor
Devices

L-4: Band Theory-1

B. Mazhari
B M h i
Professor, Dept. of EE
p
IIT Kanpur

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 Why are some materials metals and others insulators or
semiconductors ?

Why resistance of a semiconductor decreases with

temperature?

Why resistance of a semiconductor decreases upon

illumination?

Whyy some semiconductors emit light

g upon
p passage
p g of
current

Behavior of semiconductor can be explained by band theory

which arises from application of quantum physics to solids.

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Basic Postulates

Quantum mechanics says that (x,t) is a single valued probability

associated with any particle or amplitude at (x,t)
system, there
h i a wavefunction
is f i
which determines all properties * dx = probability of finding
of the system. particle at x at time t.

x
Probability of finding a particle in (x1, x 2 ) = * dx
2

x 1

E2

E1
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Constraints on Wavefunction 2. It is normalizable
1. It is a solution of Schrodingers
g *
equation dx 1
2 2
V ( x) i It implies that 0 as x
2m t

Potential
Energy
i 1 3. Must be a continuous function
mass of x

2 2 2
2 4
4. should in general be continuous
x 2 y 2 z 2 x
as well
2
h 6.6 1034 ( ) V ( x) i
2m x x t
2 2
1.05 1034 Js
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Time Independent Schrodingers Equation

E
i t
( x, y , z ) e Stationary States

2 2
V ( x) E
2m x 2

Kinetic Energy

Potential Energy

T l Energy
Total E

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Simple Example: particle in an infinite well

In region -1:
III I II
2 2 I
2
E
2m x
V = infinite V=0 V = infinite
2mE
E
I ( x ) A eikx Be ikx k
2
x=0 x=L
I ( x) A Cos(kx) BSin(kx)
2 2
V ( x) E
2m x 2

In regions II and III:

Since V and we are solving the equation for a finite energy E,

II = III = 0 !

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Boundary Conditions

III I II n
I ( x) B Sin( x)
L
V = infinite V=0 V = infinite
III 0
must be normalizable
II 0
*

x=0 x=L
dx 1
I ( x) A Cos(kx) BSin(kx)
L * 2
Since must be continuous: 0 dx 1 B
L
I (0) = 0 A = 0
I ((L)) = 0 B Sin(kL)
( ) =0
Sin(kL) = 0 2 n
I ( x) Sin( x)
k x L = n ; n = 1,2,3.. L L
2 mE 2 n 2 2
k E 2
2 2m L

Energy is Quantized ! 42
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Infinite Well

L 1 nm ;
m 9 .1 1 0 3 1 K g

2 n 2 2 E3
E 2
2m L
E2
E1 0.374eV ; E2 1.49eV ;
E3 3.36eV E1
x=0 x=L
2 n
I ( x) Sin( x)
L L
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Important Observations

1. Confinement of Electron E
Example:
l H
Hydrogen
d atom
t
leads to discrete allowed
energy levels

e2
III I II V (r )
4 o r
V = infinite V=0 V = infinite

x=0 x=L

2 n2 2 -1.5eV
En -3.4eV
2m L2 -13.6eV

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Finite Quantum Well
kL
2 k 2 k tan( )
III I II 2
2mV 2mE
k
V>0 V=0 V>0
2 2

x = -L/2 x = L/2
L = 10 ; V = 1eV ; m = 9.1 x 10-31Kg
2 2
V ( x) E
2m x 2 10
8
RHS
I B cos(kx ) C sin(kx) 6
LHS
4
Ae x
II
2
0
Ae x -2
III -4
E1 -6
-8
Next we have to match I, II and -10
-1 0 1 2 3 4 5 6 7 8 9 10 11
III and their derivatives at x = -L/2
L/2 kL
and x = L/2. E 0.19 eV
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 Parameters: L = 10 ; V = 2eV

10

4
III I II 2

-2
V>0 V=0 V>0
-4

-6

x = -L/2 x = L/2 -8

-10
-1 0 1 2 3 4 5 6 7 8 9 10 11

kL
Two bound states are there now !
E1 0.227 eV E2 1.8 eV

E2

E1

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Wavefunction
The first thing we can notice is that
Ae x wavefunction spills out of the well
III meaning that there is a probability of
I B cos(kx) finding the particle outside the well
II Ae x even if its energy is less than the
barrier outside.

Ae L / 2 B k Sin(k L / 2)
L *
0 dx 1
0.37eV
1eV
0.19eV
L=1nm L=1nm

E1

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Coupled Quantum Well

Well-1 Well-2

E1
E1
E
x=0 x=d
x

If the two wells are isolated then

02 ( x) 01( x d )

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Coupled Quantum Well

1
1 ( x) ( 01 02 )
E1 2

1
2 ( x) ( 01 02 )
E2 2

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Coupled quantum Well

E2

;
E2 = EO+E/2

EO E
E1 = EO- E/2

E1

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Coupled Quantum Well
The separation between the two energy levels increases as the
separation between the two wells decreases:
do

E2
E1

E2
E0
do
E1

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Coupled Q. Well: Example

E1

Well-1 Well-2

E1
E1
E
x=0
Symmetric wavefunction: the total energy is
x=d
x 0.178eV,
well thickness =10
Well separation = 13
potential barrier of height =1eV.

isolated well has a g

ground state
energy of 0.19eV
E2

Anti-symmetric wavefunction: total energy is

0 199eV
0.199eV,

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CQ Well: Insights
E2

Well-1 Well-2

E1
E1
E
x=0 x=d
x

E1

one can imagine each well as representing an atom and the coupled wells as
molecules.

The wavefunctions associated with each wells are like atomic orbitals.

When atoms come closer together, these atomic orbitals combine to form two
orbitals, one higher in energy and the other lower in energy

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CQW: Energy band formation

We saw that two coupled quantum

wells have two energy
gy levels close to
each other.

When we consider three coupled

wells, we find that original state has
split into three energy levels.
levels

With N coupled quantum wells we

will find N energy levels close to each
other forming a band.

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 Localized state
E1

De-Localized state

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Energy Band

E2

E1

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