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Density of States

The document discusses the density of states in k-space and energy space. It explains that (1) in k-space, the density of states is constant and there is one state per (2π/L)3 volume, where L is the lattice constant. (2) When transforming to energy space using the relation E=ħ2k2/2m, the density of states becomes proportional to E1/2 for a free particle gas in 3D. (3) The density of states in energy space, f(E), gives the number of states per unit energy interval and allows converting sums over states to integrals over the density of states.

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93 views2 pages

Density of States

The document discusses the density of states in k-space and energy space. It explains that (1) in k-space, the density of states is constant and there is one state per (2π/L)3 volume, where L is the lattice constant. (2) When transforming to energy space using the relation E=ħ2k2/2m, the density of states becomes proportional to E1/2 for a free particle gas in 3D. (3) The density of states in energy space, f(E), gives the number of states per unit energy interval and allows converting sums over states to integrals over the density of states.

Uploaded by

Vuong
Copyright
© Attribution Non-Commercial (BY-NC)
We take content rights seriously. If you suspect this is your content, claim it here.
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Density of states

There’s been some confusion about the density of states. First one finds the density of states
in k-space. Assume we have a system with periodic structure with lattice constant is L. Then
the quantum mechanical boundary conditions says that particle wav functions have periodic
boundary conditions

ψ(x + L) = ψ(x); , (1)

and since plane waves ψ(x) = eikx give

ψ(x + L) = eik(x+L) = eikx eikL (2)


ψ(x) = eikx (3)

we must have
2π
eikL = 1 ⇔ kL = n2π ⇔ k = n , n = any integer . (4)
L
From this we see that one k-state takes space 2π L
in k-space. Doing the same in 3 dimensions,
there is one k-state in a box of size ( 2π
L
) 3
.
If we are dealing with electrons, we can put one spin up and one spin down electron in each
k-state ⇒ factor g = 2. This g is a degeneracy factor that tells how many internal states (like
spin states) there are in one k-space state.
Usually we want to sum over states. In the thermodynamical limit L → ∞ the k space is
densily packed with k-space states, so it becomes very cumbersome to sum them one by one.
Instead we convert the sum to an integral and say that
1 state
In 3D, the density of states in k space is constant,  , (5)
2π 3
L

d k 3
meaning that in an infinitesimal volume d3 k there are 3 states. The sum over states of
( 2π
L )
some function F (k) in the thermodynamical limit is (volume V = L3 )

d3 k
X X Z
F (k) = g F (k) ≈ g 3 F (k) (6)
2π
states k L
π 2π
dkk 2
Z ∞ Z Z Z
gV
= g sin(θ) dφF (k) = 4π dkk 2 F (k) . (7)
2π 3 (2π)3

0 0 0
L

Warning: The k = 0 state of bosons is an exception at T < Tc ; that single state has macro-
scopic occupation, which the integral completely ignores (in the integral k 2 F (k) = 0 for k = 0
no matter how big F (k = 0) is). That single state must be dealt with separately.

1
With the “density of states” one usually means the energy density of states, so we convert
k-space to E-space. This is simple for free particles (such as ideal Bose or Fermi gas), which
have
1 1
~2 k 2
 
2m 2 1 2m 2 1 − 1
E= ⇒k= E 2 ⇒ dk = E 2 dE . (8)
2m ~2 ~2 2

We need a simple change of variables, k → E,


Z "  12 # "  12 #2
2m 1 2m
Z
X gV gV 1 1
F (E) = dkk 2 F (E) = 2 E − 2 dE E 2 F (E) (9)
states
2π 2 2π ~2 2 ~2
 3/2 Z
gV 2m 1
= dEE 2 f (E) . (10)
4π 2 ~2

This must be the same as


X Z
F (E) = dEf (E)F (E) , (11)
states

where f (E) is the (energy) density of states. Comparing the integrals we see that
 3/2
gV 2m 1
f (E) = 2 E 2 (in 3D) . (12)
4π ~2

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