EE 223

Applied Quantum Mechanics II

David Miller
Density of states
 Density of states

Energy density of states in bulk crystals

Density of states in energy
ky 2
The density of states in k-space L
(per unit real volume) is
1
g k  
 

3
2
which is constant kx
independent of the form of
the band structure
Here for simplicity we presume
the crystal is a cube
of side L
Density of states in energy
ky 2
Now we want the density of L
states in energy per unit real
volume g  E 
which depends on band
structure
kx
so we need the relation
between the electron
energy, E, and k
Now we work out that density
of states for an isotropic
parabolic band
Density of states in energy
ky 2
Since by assumption in our dk L
isotropic parabolic band
2k 2
Ek  V k
2meff
the number of states kx
between energies E and
E+dE
i.e., g  E  dE
is the number of states in k-
space in a spherical shell
Density of states in energy
ky 2
The radius of the inner sphere dk L
2k 2
from Ek  V
2meff
k
2meff
is k  E V  kx
2

The radius of the outer sphere
is k+dk, where
 dk 
dk    dE
 dE 
Density of states in energy
ky 2
2meff
From k   E V  dk L
 2

we deduce
dk 1 2meff 1 k

dE 2  2 E V kx
so the volume of the spherical
shell in k-space is
2 dk
4 k dk  4 k
2
dE
dE
 2  2meff /    E V 
2 3/2 1/2
Density of states in energy
ky 2
Since the density of states in k- dk L
space is g  k   1 /  2 
3

the total number of k-states

in this spherical shell is k
3/2
1  2meff 
2  2   E V  kx
1/2

 2    
3
 Density of states in energy
ky 2
We now introduce the idea that dk L
the electron has two possible
spin states, so
the number of states between k
energy E and E+dE is
3/2 kx
1  2meff 
g E  2 2  2   E  V 
1/2

 2    
3

i.e.,
3/2
1  2meff 
g E  2  2   E V 
1/2

2   
Density of states in energy

Density of states (arb. units)

This gives the classic “ E1/2” 4
density of states
As the energy E rises above the 3
energy of the bottom of the
“parabola” 2
the density of states rises as 1
the square root of the extra
energy 0
0 5 10
E – V (arb. units)
Density of states

Quantum wells
Quantum well structures

Semiconductor quantum well –

a thin layer of a narrow band gap material such as GaAs
between two wider band gap layers, e.g., AlGaAs
It is a good example of a quantum confined structure
extensively used in semiconductor optoelectronic
devices
such as laser diodes and optical modulators
Our discussion now extends
1D “particle in a box” quantum mechanics
including motion in the two “in-plane” directions
 Quantum well structures
GaAs “well” barrier well barrier
e.g., 10 nm AlGaAs “barrier”

conduction
band

substrate
(GaAs)
valence
band

Electrons and holes both see “lower” energies in the well

“particle in a box” quantum confinement in one
direction
Separation of the quantum well problem

The eigenstates of a particle (electron or hole)

will be “particle in a box” states in the z
direction  n ( z )
with envelope wavefunction
and unconstrained "free" plane-wave
motion
in the two directions in the plane of
the quantum well layer
with wavevector kxy.
We see this by formal separation of the problem
Separation of the quantum well problem

The Schrödinger equation for the envelope function is

2
  2  r   V  z   r   E  r 
2meff
where V  z  is only a function of z
For quantum-confined structures such as
quantum wires or
quantum boxes or “dots”
the potential would be a function of
two directions or
three directions, respectively
Separation of the quantum well problem

We formally rewrite the envelope function equation as

2 2  2
  xy  r  
2
  r   V  z   r   E  r 
2meff 2meff z 2

 2
 2
where  2xy  2  2
x y
We postulate a separation
  r    n  z  xy  rxy 
where rxy  xi  yj is the electron position in the
quantum well plane
Separation of the quantum well problem

Substituting this form   r    n  z  xy  rxy 

into the envelope function Schrödinger equation
2  2
 2
  2xy  r     r   V  z   r   E  r 
2meff 2meff z 2

and dividing by it throughout, leads to

2 1  2
1  2
  2xy xy  r    n  z V  z  E
2meff  xy  r  2meff  n  z  z 2
 Separation of the quantum well problem

We can formally separate this equation

2 1  2
1  2
  2xy xy  r    n  z V  z  E
2meff  xy  r  2meff  n  z  z 2

as
2  2
 2
 2xy xy  rxy   E 
1 1
  n  z   V  z   Exy
2meff  xy  rxy  2meff  n  z  z 2

with a separation constant we have chosen as Exy

 Separation of the quantum well problem

The left part of

2  2
 2
 2xy xy  rxy   E 
1 1
  n  z   V  z   Exy
2meff  xy  rxy  2meff  n  z  z 2

2
gives   2xy xy  rxy   Exy xy  rxy 
2meff
which is simply solved for the “in-plane” motion
 xy  rxy   exp  ik xy .r 
 2 k xy2
with Exy 
2meff
 Separation of the quantum well problem

The right part of

2  2
 2
 2xy xy  rxy   E 
1 1
  n  z   V  z   Exy
2meff  xy  rxy  2meff  n  z  z 2

with the choice En  E  Exy

2 d 2
gives  2
 n  z   V  z  n  z   En n  z 
2meff dz
which is a simple “particle in a box” equation for
a particle of effective mass meff in an effective
potential V(z)
Subbands

The total allowed energies are n = 3

the energies En for the
particle in a box energies
plus the additional energy n = 2
associated with the in plane
n = 1
motion
Instead of discrete energy
levels
we have so called "subbands"
Note that the bottom of each E ky
subband has the energy En kx
 Density of states

Density of states in quantum wells

Quantum well density of states

Just as for the bulk case

we formally impose periodic boundary conditions in
the x and y directions
This gives us allowed values of the wavevector
in the x direction, kx, spaced by 2 /Lx
in the y direction, ky, spaced by 2 /Ly
Each kxy state occupies a kxy space “area” of (2)2/Aqw
where Aqw = LxLy
and there is one allowed value of kxy for each unit
cell in the x-y plane of the quantum well
Quantum well density of states

Since each kxy state occupies a kxy space “area” of

(2)2/Aqw
the number of states in a small area d2kxy of kxy space
is (Aqw/(2)2) d2kxy.
Hence we can usefully define a (kxy space) density of
states per unit (real) area, g2D(kxy), given by

g 2 D  k xy  
1
 2 
2
Quantum well density of states
ky 2
The number of k states dkxy L
between energies Exy and
Exy + dExy, i.e., g2D(Exy)dExy kxy
is the number of states in
kxy-space in the annular ring
kx
of area 2 kxydkxy
between kxy and kxy + dkxy
 dk xy 
where dk xy    dExy
 dE
 xy 
Quantum well density of states

Using the assumed parabolic relation between Exy and

kxy, we have therefore,
now multiplying by 2 to include the different spins

g 2 D  Exy  dExy  2 g 2 D  k xy  2 k xy
dk xy
dExy
dExy
2 2meff 1 2meff 1
 2 Exy dExy
 2  2 2 2
2
Exy

i.e., g 2 D  Exy  
meff
 2
Quantum well density of states

This relation g 2 D  Exy  

meff n = 3
 2
means that the density of
states in energy within a n = 2

given subband n = 1
is a constant, independent
of energy
within that subband
for all Exy > 0 E ky

kx
Quantum well density of states

It is therefore a "step" density

Density of states
of states
starting at Exy = 0
i.e., starting at E = En n=3
Hence, the total density of
states as a function of the n=2
energy E n=1
rises as a series of steps
with a new step starting as Energy, E
we reach each En
Quantum well density of states

Plotting the quantum well

Density of states
density of states (per unit
volume)
for a quantum well with n=3
infinitely high walls
it "touches" the bulk density of n=2
states (per unit volume) at the n=1
edge of the first step
Energy, E
Quantum well density of states

Furthermore, since the steps

Density of states
are spaced quadratically in
energy
and the bulk density of states n=3
is a "parabola on its side"
the quantum well (volume) n=2
density of states touches n=1
the bulk (volume) density
of states Energy, E
at the corner of each step
Quantum well density of states
If we started to increase the

Density of states
thickness of the quantum well
the steps would get closer
and closer together
n=3
but their corners would still
touch the bulk curve n=2
so that, as the quantum
well became very thick n=1
its density of states Energy, E
would tend to that of
the bulk material.