2-Density of States Fermi Energi

ECE 3080 - Dr.
Alan Doolittle Georgia Tech

Lecture 4
Density of States and Fermi Energy Concepts
Reading:
(Contd) Pierret 2.1-2.6 and Notes
ECE 3080 - Dr. Alan Doolittle Georgia Tech
How do electrons and holes populate the bands?
Density of States Concept
In lower level courses, we state that Quantum Mechanics tells us that the
number of available states in a cubic cm per unit of energy, the density of states,
is given by:
eV
cm
States of Number
unit
E E
E E m m
E g
E E
E E m m
E g
v
v p p
v
c
c n n
c
|
.
|
\
|
=
3
3 2
* *
3 2
* *
,
) ( 2
) (
,
) ( 2
) (
h
h

Density of States Concept
Thus, the number of states per cubic centimeter between
energy E and E+dE is
otherwise
and
and
0
, E E if )dE (E g
, E E if )dE (E g
v v
c c
But where does it come from?

Derivation of Density of States Concept
First a needed tool: Consider an electron trapped in an energy well with infinite potential barriers.
Recall that the reflection coefficient for infinite potential was 1 so the electron can not penetrate the
barrier.
After Neudeck and Pierret Figure 2.4a
( ) ( )
( )
2
2 2 2
n
2 2
2
2
2
2
2
2 2
2
2
2
E and sin ) (
3... , 2 1, n for
a
n
k 0 ka Asin 0 (a)
0 B 0 ) 0 (
: Conditions Boundary
2
or E
2 2
k where
cos sin ) ( : Solution General
0
0
2
2
ma
n
a
x n
A x
m
k mE
kx B kx A x
k
x
E
x m
E V
m
n n
h
h
h
h
h

=
|
.
|
\
|
=
= = = =
= =
= = =
+ =
= +
=
|
|
.
|
\
|
+
What does it mean?
After Neudeck and Pierret Figure 2.4c,d,e
2
2 2 2
n
2
E and sin ) (
ma
n
a
x n
A x
n n
h
=
|
.
|
\
|
=
A standing wave results from
the requirement that there be a
node at the barrier edges (i.e.
BCs: (0)=(a)=0 ) . The
wavelength determines the
energy. Many different
possible states can be
occupied by the electron, each
with different energies and
wavelengths.
What does it mean?
After Neudeck and Pierret Figure 2.5
2
2 2 2
n
2
E and sin ) (
ma
n
a
x n
A x
n n
h
=
|
.
|
\
|
=
Recall, a free particle has E ~k
2
.
Instead of being continuous in k
2
, E
is discrete in n
2
! I.e. the energy
values (and thus, wavelengths/k) of a
confined electron are quantized (take
on only certain values). Note that as
the dimension of the energy well
increases, the spacing between
discrete energy levels (and discrete k
values) reduces. In the infinite
crystal, a continuum same as our free
particle solution is obtained.
Solution for much larger a. Note:
offset vertically for clarity.
We can use this idea of a set of states in a confined space ( 1D well region) to derive the
number of states in a given volume (volume of our crystal).
Consider the surfaces of a volume of semiconductor to be infinite potential barriers (i.e.
the electron can not leave the crystal). Thus, the electron is contained in a 3D box.
After Neudeck and Pierret Figure 4.1 and 4.2
m
k mE
k
z y x
E
x m
E V
m
2
or E
2 2
k where
c z 0 b, y 0 a, x 0 ...for
0
0
2
2
2 2
2
2
2
2
2
2
2
2
2
2 2
2
2
h
h
h
h
= = =
< < < < < <
= +
=
|
|
.
|
\
|
+

Using separation of variables...
2 2 2 2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2

0
) (
) (
1
, 0
) (
) (
1
, 0
) (
) (
1
0
) (
) (
1
) (
) (
1 ) (
) (
1
get... we (2) by dividing and (1) into (2) Inserting
) ( ) ( ) ( ) , , ( (2)
0 (1)
z y x
z
z
z
y
y
y
x
x
x
z
z
y
y
x
x
z y x
k k k k where
k
z
z
z
k
y
y
y
k
x
x
x
k
z
z
z y
y
y x
x
x
z y x z y x
k
z y x
+ + =
= +
= +
= +
= +
=
= +

Since k is a constant for a given energy, each of the three terms on the left side must
individually be equal to a constant.
So this is just 3 equivalent 1D solutions which we have already done...
Contd...
( ) ( ) ( )
|
|
.
|
\
|
+ + =
= = = =
=
=
2
2
2
2
2
2 2 2
nz ny, nx,
z
z
y
y
x
x
2
E and
3... , 2 1, n for ,
a
n
k ,
a
n
k ,
a
n
k where
sin sin sin ) , , (
) ( ) ( ) ( ) , , (
c
n
b
n
a
n
m
z k y k x k A z y x
z y x z y x
z
y
x
z y x
z y x
h
0
a
k
x
k
y
k
z
Each solution (i.e. each
combination of n
x
, n
y
, n
z
)
results in a volume of k-
space. If we add up all
possible combinations, we
would have an infinite
solution. Thus, we will only
consider states contained in a
fermi-sphere (see next
page).
Contd...
f
2 2
f
energy E electron average for value momentum a defines
2
E =
m
k
f
h
Volume of a single state cube:
V
3
state single
|
|
.
|
\
|
=
|
.
|
\
|
|
.
|
\
|
|
.
|
\
|
=
V c b a

Volume of a fermi-sphere:

3
4
V
3
sphere - fermi
|
.
|
\
|
=
f
k
A Fermi-Sphere is
defined by the
number of states in
k-space necessary to
hold all the electrons
needed to add up to
the average energy
of the crystal
(known as the fermi
energy).
V is the physical
volume of the
crystal where as all
other volumes used
here refer to volume
in k-space. Note
that: V
single-state
is the
smallest unit in k-
space. V
single-state
is
required to hold a
single electron.
Contd...
k-space volume of a single state cube:
V
3
state single
|
|
.
|
\
|
=
|
.
|
\
|
|
.
|
\
|
|
.
|
\
|
=
V c b a

k-space volume of a fermi-sphere:

3
4
V
3
sphere - fermi
|
.
|
\
|
=
f
k
Number of filled states
in a fermi-sphere:
2
3
3
3
sin
3

4

3
4
2
1
2
1
2
1
2 N
f
f
state gle
sphere fermi
k V
V
k
x x x
V
V
=
|
|
.
|
\
|
|
.
|
\
|
=
|
.
|
\
|
|
.
|
\
|
|
.
|
\
|
=
Correction for
allowing 2 electrons
per state (+/- spin)
Correction for redundancy in
counting identical states resulting
from +/- n
x
, +/- n
y
, +/- n
z
.
Specifically, sin(-)=sin(+) so the
state would be the same. Same as
counting only the positive octant in
fermi-sphere.
Contd...
Number of filled states
in a fermi-sphere:
3
1
2
f
2
3
3
k
3

N
|
|
.
|
\
|
= =
V
N
k V
f

E
f
varies in Si from 0 to ~1.1 eV as n varies from 0 to ~5e21cm
-3
( )
density electron the is n where
2
3
E
2
3

2
E
3
2
2 2
f
3
2
2
2
2 2
f
m
n
m
V
N
m
k
f

h
h
h
=
|
|
.
|
\
|
= =
2
3
2 2 2
3
2
3 3

N
|
.
|
\
|
|
.
|
\
|
= =
h
mE V
k V
f

Thus,
Contd...
E
V
m mE V
3 2
2
2
1
2 2
2m m
G(E)
2 2
3 2
3

G(E)
V
dE
dN
per volume energy per states of # G(E)
h
h h
=
(
(
|
.
|
\
|
|
.
|
\
|
|
.
|
\
|
=
|
.
|
\
|
=
2
3
2 2 2
3
2
3 3

N
|
.
|
\
|
|
.
|
\
|
= =
h
mE V
k V
f

Applying to the semiconductor we must recognize mm* and
since we have only considered kinetic energy (not the potential
energy) we have E E-E
c
c
E E =
3 2
* *
2m m
G(E)
h
Finally, we can define the density of states function:
Probability of Occupation (Fermi Function) Concept
Now that we know the number of available states at each energy, 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.
) (~
, tan
1
1
) (
) (
crystal the in energy average energy Fermi E and
Kelvin in e Temperatur T t cons Boltzman k where
e
E f
F
kT
E E
F

+
=

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
At T=0K, occupancy is digital: No occupation of states above E
F
and
complete occupation of states below E
F
At T>0K, occupation probability is reduced with increasing energy.
f(E=E
F
) = 1/2 regardless of temperature.
At T=0K, occupancy is digital: No occupation of states above E
F
and
complete occupation of states below E
F
At T>0K, occupation probability is reduced with increasing energy.
f(E=E
F
) = 1/2 regardless of temperature.
At higher temperatures, higher energy states can be occupied, leaving more
lower energy states unoccupied (1-f(E)).
0.00
0.20
0.40
0.60
0.80
1.00
1.20
0 0.2 0.4 0.6 0.8 1 1.2
f
(
E
)
E [eV]
3 kT 3 kT
3 kT 3 kT
+/-3 kT
E
f
=0.55 eV
For E > (E
f
+3kT):
f(E) ~ e
-(E-Ef)/kT
~0
For E < (E
f
-3kT):
f(E) ~ 1-e
-(E-Ef)/kT
~1
T=10 K,
kT=0.00086 eV
T=300K,
kT=0.0259
T=450K,
kT=0.039
kT
E E
F
e
E f
) (
1
1
) (

+
=
But where did we get the fermi distribution function?
After Neudeck and Pierret Figure 4.5
Consider a system of N total electrons spread between S allowable states. At each energy, E
i
,
we have S
i
available states with N
i
of these S
i
states filled.
We assume the electrons are indistinguishable
1
.
1
A simple test as to whether a particle
is indistinguishable (statistically
invariant) is when two particles are
interchanged, did the electronic
configuration change?
Constraints for electrons:
(1) Each allowed state can accommodate at most, only one electron (neglecting
spin for the moment)
(2) N=N
i
=constant; the total number of electrons is fixed
(3) E
total
=E
i
N
i
; the total system energy is fixed
( ) ! N !
i i i
i
i
N S
S
W
=
How many ways, W
i
, can we arrange at each energy, E
i
, N
i
indistinguishable electrons into
the S
i
available states.
( )

= =
i
i i
i
i
i
N S
S
W W
! N !
i
When we consider more than one level (i.e. all is) the number of ways we can arrange the
electrons increases as the product of the W
i
s .
If all possible distributions are equally likely, then the probability of obtaining a specific distribution is
proportional to the number of ways that distribution can be constructed (in statistics, this is the
distribution with the most (complexions). For example, interchanging the blue and red electron would
result in two different ways (complexions) of obtaining the same distribution. The most probable
distribution is the one that has the most variations that repeat that distribution. To find that maximum,
we want to maximize W with respect to N
i
s . Thus, we will find dW/dNi = 0. However, to eliminate the
factorials, we will first take the natural log of the above...
... then we will take d(ln[W])/dN
i
=0. Before we do that, we can use Stirlings Approximation to
eliminate the factorials.
( ) ( ) | | ( ) ( )
=
i
i
! N ln ! ln ! ln ln
i i i
N S S W
or
or
E
i
E
i
E
i
E
i+2
E
i+1
E
i
Using Stirlings Approximation, ln(x!) ~ (xln(x) x) so that the above becomes,
( ) ( ) | | ( ) ( )
( ) ( ) ( ) | | ( ) ( ) ( )
( ) ( ) ( ) | | ( ) ( )
=
+ + =

=
i
i i
i
i i i
i
i
N ln N ln ln ln
terms, like Collecting
N N ln N ln ln ln
! N ln ! ln ! ln ln
i i i i i i
i i i i i i i i i
i i i
N S N S S S W
N S N S N S S S S W
N S S W
Now we can maximize W with respect to N
i
s . Note that since d(lnW)=dW/W when dW=0,
d(ln[W])=0.
( ) ( )
( ) | | ( ) ( ) | |
( )

|
|
.
|
\
|
= =
+ =

=
i
i
i
i
1 ln 0 ln
1 N ln 1 ln ln
ln ln
i
i
i
i i i
i i
dN
N
S
W d
dN N S W d
N
W
dN
W d
Setting the derivative equal to 0...
(4)
From our original constraints, (2) and (3), we get...
( )
( )

= =
= =
i i
i i
0
0
i i total i i
i i
N d E E N E
N d N N
Using the method of undetermined multipliers (Lagrange multiplier method) we multiply the
above constraints by constants and and add to equation 4 to get ...
( )
( )
=
=
i
i
0
0
i i
i
N d E
N d
( )
i all for 0 1 ln that requires which
1 ln 0 ln
i
=
|
|
.
|
\
|

|
|
.
|
\
|
= =
i
i
i
i i
i
i
E
N
S
dN E
N
S
W d

This final relationship can be solved for the ratio of filled states, N
i
per states available S
i
...
( )
kT
E E
i
i
i
E
i
i
i
i
i
i
F i
i
e
N
S
E f
e N
S
E f
E
N
S
+
+
= =
= =
+
= =
=
|
|
.
|
\
|
1
1
) (
kT
1
and
kT
E
-
have we tors, semiconduc of of case the in
1
1
) (
0 1 ln
F

Probability of Occupation
We now have the density of states describing the density of
available states versus energy and the probability of a state
being occupied or empty. Thus, the density of electrons (or
holes) occupying the states in energy between E and E+dE
is:
otherwise
and
and
0
, E E if dE f(E)] - (E)[1 g
, E E if dE f(E) (E) g
v v
c c
Electrons/cm
3
in the conduction
band between Energy E and E+dE
Holes/cm
3
in the valence band
between Energy E and E+dE
Band Occupation
Intrinsic Energy (or Intrinsic Level)
Equal
numbers of
electrons and
holes
E
f
is said to equal
E
i
(intrinsic
energy) when
Additional Dopant States
Intrinsic:
Equal number
of electrons
and holes
n-type: more
electrons than
holes
p-type: more
holes than
electrons

2-Density of States Fermi Energi

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2-Density of States Fermi Energi

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ECE 3080 - Dr.

Alan Doolittle Georgia Tech

ECE 3080 - Dr. Alan Doolittle Georgia Tech

But where does it come from?

ECE 3080 - Dr. Alan Doolittle Georgia Tech

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