Tutorial 3: Sommerfeld Expansion

Contents
1 Derivation 1

2 Chemical Potential 3

3 Heat Capacity 5

1 Derivation
Motivation In Tutorial 2 we described a metal as an ideal quantum gas of N free
electrons in a volume L3 , where both N → ∞ and L → ∞ while n = N/L3 is constant
(uniform) throughout the metal. This allowed us to define meaningful local quantities
(such as energy density u = Etot /L3 ) and to treat the single particle problem as a free
particle with energies ε = ~2 k 2 /2m. We then exploited the fact that the density of states
(DOS) in 2D is constant, i.e. energy independent, to find the chemical potential and heat
capacity of a 2D electron gas. For any other dimension though one encounters integrals
of the form ˆ ∞
I= dεh(ε)fF D (ε), (1)
−∞
where h(ε) is a given polynomial function of ε and satisfies
lim h(ε) = 0. (2)
ε→−∞

Considering that, in our applications, h(ε) contains the DOS g(ε), which vanishes for
negative energies: g(ε < 0) = 0, this limit is intuitive.

Primitive Function We also define the primitive function

ˆ ε
H(ε) = dε0 h(ε0 ), (3)
−∞

i.e. the function whose derivative is h(ε):

dH
h(ε) = = h(ε) − h(−∞) = h(ε). (4)
dε
In the last equality we used Eq. (2). In itself, H(ε) does not do much for us, but its
expansion around ε = µ:
∞
1 dn H 

X
H(ε) = H(µ) + n
(ε − µ)n (5)
n! dε
n=1

ε=µ

will turn out to be very helpful, especially in the limit of low temperatures.

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Derivation of the Sommerfeld Formula We wish to solve the integral in Eq. (1).
To this end we first integrate by parts:
∞ ˆ ∞
 ∂fF D
I = H(ε)fF D (ε) − dεH(ε) . (6)
−∞ −∞ ∂ε
The boundary terms vanish. At ε = ∞ because of fF D and at ε = −∞ because, by
definition [see Eq. (3)], H(−∞) = 0 (integration from −∞ to −∞). Hence the desired
integral can be expressed as
ˆ ∞  
∂fF D
I= dεH(ε) − . (7)
−∞ ∂ε
The second step is to use the expansion of H(ε) in Eq. (5):
ˆ ∞ ∞ ˆ ∞
1 dn H 
  X   
∂fF D n ∂fF D
I= dεH(µ) − + dε (ε − µ) − . (8)
−∞ ∂ε n=1 −∞
n! dεn ε=µ ∂ε
´µ
The first term is simply H(µ) = −∞ h(ε)dε. To see this, note that H(µ) is a constant
with respect to ε and can therefore be taken outside the integral. After plugging in the
boundaries of the integral and considering the basic properties1 of fF D one remains with
ˆ ∞ 
 

∂fF D
H(µ) dε − = H(µ) − fF D (∞) + fF D (−∞) = H(µ). (9)
−∞ ∂ε | {z } | {z }
=0 =1

To deal with the second term we first take the ε-independent n-th derivative of H(ε)
(because it is evaluated at ε = µ) outside the integral. In the remaining integral we
substitute x = β(ε − µ):
∞ ˆ ∞
1 dn H 

X ∂ 1
I = H(µ) − n
dε (ε − µ)n β(ε−µ)
(10)
n=1
n! dε ε=µ −∞
 ∂ε e +1
ˆ µ ∞ ˆ ∞
1 dn−1 h 

X n ∂ 1
= h(ε)dε + n−1
(kB T ) dxxn x
(11)
−∞ n=1
n! dε 
ε=µ −∞ ∂x e + 1

Now, while 1/(ex + 1) is a broadened step function around x = 0, its derivative is a

broadened δ-function and is therefore an even function. Hence, all odd n terms vanish
and, replacing n → 2n in the summand,
ˆ µ ∞ ˆ ∞
1 d2n−1 h 

2n ∂ 1
X 2n
I= h(ε)dε + 2n−1
(kB T ) dxx x+1
. (12)
−∞ n=1
(2n)! dε 
ε=µ −∞ ∂x e

The integral can

Pbe reformulated in terms of the Rieman zeta function (which is actually
∞
a sum) ζ(n) = k=1 1/k n :
ˆ ∞
x2n ∂
 
1 1
an = − dx = 2 − 2(n−1) ζ(2n). (13)
−∞ (2n!) ∂x ex + 1 2
1
At ε → −∞ the Fermi-Dirac population distribution fF D (ε) is equal to 1, i.e. the probability of this
state being populated is unity. But there are no states in the region ε < 0? True, but fF D (ε) does not
know this. The function that holds the information about where states are is the DOS g(ε) while fF D (ε)
merely tells us how the population is distributed among them – given that they are there.

2
In practice we will only ever need the first few terms:
π2 7π 4 31π 6
a1 = , a2 = and a3 = . (14)
6 360 15120
The integral of Eq. (1) thus takes the form of a power series (even powers only) in kB T :
ˆ ∞ ˆ µ ∞
d2n−1 h 
X 
dεh(ε)fF D (ε) = h(ε)dε + an 2n−1  (kB T )2n . (15)
−∞ −∞ n=1
dε ε=µ

This is known as the Sommerfeld expansion. The fact that the leading correction is ∼ T 2
(and not ∼ T ) indicates that even the temperature-independent 0-th order term is a
reasonable approximation at low enough temperatures.
Finally, note that the derivation was absolutely general. In particular, it applies for
any dimension.

2 Chemical Potential
Statement of the Problem Using the Sommerfeld expansion, find a general formula
for µ(T ). Keep just the leading temperature correction. Apply the formula to a 1D, 2D
and 3D free electron gas.

Sommerfeld To find the chemical potential one uses the normalization

ˆ ∞
N =V dεg(ε)fF D (ε) (16)
0

and, after integrating, solves for µ.

Comparing with Eq. (1) we identify h(ε) = g(ε). Plugging this into the expansion
Eq. (15) and retaining only the first two terms results in
ˆ µ
π 2 dg 

N
= g(ε)dε + (kB T )2 . (17)
V 0 6 dε ε=µ

The µ-dependence is now in the integral boundary and the evaluation point of the deriva-
tive.

Eliminating the Chemical Potential We deal with the integral first. We split the
integration interval into two parts:
ˆ µ ˆ εF ˆ µ
g(ε)dε = g(ε)dε + g(ε)dε (18)
0
| 0 {z } | εF {z }
N/V g(εF )(µ−εF )

The first part is simple. Integrating the DOS over all energies from 0 to εF results in
the total number of particles N per unit volume V . For the second part we approximate,
in the spirit of µ ≈ εF at kB T  εF , the function g(ε) by its value at ε = εF and find
g(εF )(µ − εF ).
Lets turn our attention to the derivative dg/dε|ε=µ and denote it by g 0 (µ). Here we
make the approximation g 0 (µ) = g 0 (εF )+f (T ), where f (T ) is some (unknown) function of

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the temperature T . Because the term is multiplied by T 2 we may keep just the constant
part g 0 (εF ), i.e. the term f (T )T 2 is larger than O(T 2 ) and hence negligible.
Using the above, Eq. (17) becomes

π 2 dg 

N N
= + g(εF ) (µ − εF ) + (kB T )2 . (19)
V V 6 dε ε=εF

| {z }
g 0 (εF )

It is now a simple task to eliminate µ. First of all we subtract N/V rendering µ(T ) density
independent. Then, after cleaning up a little,

π 2 g 0 (εF )
µ = εF − (kB T )2 . (20)
6 g(εF )

This form of µ(T ) illustrates very nicely that µ(T = 0) = εF and that the leading
correction for T 6= 0 is O(T 2 ).

1D In Tutorial 2 we obtained (now adding a factor of 2 for the spin degeneracy)

√
2m 1
g1D (ε) = √ . (21)
π~ ε
0
√ √
The derivative is thus g1D (ε) = − m/ 2π~ε3/2 and, using Eq. (20),
r " 2 #
π2 m 1 2

π~ √ π kB T
µ(T ) = εF + √ εF (kB T )2 = εF 1 + . (22)
6 2 π~εF3/2 2m 12 εF

This expression, again, emphasizes the limit kB T  εF in which the expansion is useful.

2D For two spatial dimensions we found (Tutorial 2) that µ = εF in the limit kB T  εF ,

not only for T = 0. The reason becomes evident by looking at the Sommerfeld expansion.
According to Eq. (15) the corrections depend on the derivatives of the DOS with respect
to ε. In the 2D case the DOS is constant though and hence all corrections vanish.
What happens as the temperature increases? In Tutorial 2 the following expression
was found:
µ = kB T ln eβεF − 1 .


(23)
A little algebra down the road we get:

µ = kB T ln eβεF 1 − e−βεF



= kB T ln eβεF + kB T ln 1 − e−βεF



(24)
= εF + kB T ln 1 − e−βεF

Now, since kB T  εF (βεF  1), e−βεF  1 and hence we can use the Taylor expansion
ln(1 − x) ≈ −x:
µ = εF − kB T e−βεF . (25)
We see that, contrary to what we obtained from the Sommerfeld expansion, there is a low
temperature correction. However it is suppressed exponentially and hence a power series
cannot capture it.

4
 𝑇=0
0 𝜀𝐹 𝜀
𝑇≠0
𝜇

Figure 1: Chemical potential √ in 1D. In 1D the density of states decreases with

increasing energy as g(ε) ∼ 1/ ε. At T = 0 all states up to µ(T = 0) = εF are filled.
As T 6= 0 the states in the region ∼ kB T (indicated by green line) are half filled. The
chemical potential, which is the average energy needed to add a new particle, is in the
center of the half-filled region. Since the density of states is denser (more dilute) at ε < εF
(ε > εF ) the center is shifted to the right and µ > εF .

3D Again, using r
m 2mε
g3D = 2 2 (26)
π ~ ~2
and its derivative, Eq. (20) leads to
r s
π2 m 2m π 2 ~2 ~2
µ(T ) = εF − 2 2 2
(kB T )2
6 2π ~ ~ εF m 2mεF
" #
2
π 2 kB T
 
= εF 1 − (27)
12 εF

Some Intuition What is the meaning of µ? It has dimension of energy, so what action
costs energy µ? Since the chemical potential is connected to the number of particles, µ
can be understood as the amount energy needed to add another particle to the system.
Comparing the 1D and 3D cases, note that the expressions are identical up to a change
of sign. While µ(T ) ≥ εF in the 1D case (µ increases with T ) it decreases with T in the
3D case. The reason for √this can be traced back to the energy dependence of the DOS.
1D (ε) ∼ 1/ ε decreases with increasing energy, the opposite is the case for
While in 1D, g√
3D: g3D (ε) ∼ ε. The illustration in Fig. 1 demonstrates that at non-zero temperature
the average energy required to add a particle (i.e. µ) is larger than εF as a consequence
of the the DOS being more dilute above εF . Hence, in 1D, µ(T ) > εF . The same line of
reasoning can be used to explain the 3D phenomena µ(T ) < εF .

3 Heat Capacity
Statement of the Problem Find a low-temperature expression [O(T )] for the heat
capacity cV (T ), for any dimension.

Procedure We will first compute the energy density u = E/V by means of

ˆ ∞
u= dεεg(ε)fF D (ε). (28)
−∞

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To this end we apply the Sommerfeld expansion with h(ε) = εg(ε). The heat capacity
is then given by cV = ∂u/∂T . The temperature-independent leading term is therefore
irrelevant and we only care about the O(T 2 ) correction to u, which ultimately leads to
cV ∼ T .
In Tutorial 2 we found this behavior for the 2D case. Here we show that it applies for
any dimension, in agreement with the intuitive argument given at the end of Tutorial 2,
namely: cV counts the number of degrees of freedom that can absorb energy, which for
fermions ∼ T .

Computation Plugging h(ε) = εg(ε) into the first two terms of Eq. (15) gives
ˆ µ
π2

2 d

u= dεεg(ε) + (kB T ) εg(ε) . (29)
0 6 dε ε=µ

Since the upper boundary µ = µ(T ) depends on temperature we must be careful. Similarly
to the previous question, we deal with the integral as follows:
ˆ µ ˆ εF ˆ µ
dεεg(ε) = dεεg(ε) + dεεg(ε) . (30)
0 0 εF
| {z } | {z }
u0 εF g(εF )(µ−εF )

Here, u0 is the energy density at T = 0 and hence temperature-independent. Its value, i.e.
the solution of the integral, is irrelevant. In the second term we plug in µ from Eq. (20)
to obtain ˆ µ
π 2 g 0 (εF )
dεεg(ε) = u0 − εF g(εF ) (kB T )2 . (31)
0 6 g(εF )
Now we turn to the derivative which is evaluated at ε = µ. After taking the derivative of
the product: 
d
= g(µ) + µg 0 (µ),

εg(ε) (32)
dε ε=µ

we can approximate µ ≈ εF in both terms. This is justified by the (kB T )2 which already
multiplies the derivative. We thus get

π2 π2
u = u0 − εF g 0 (εF ) (kB T )2 + (kB T )2 [g(εF ) + εF g 0 (εF )]
6 6
π2
= u0 + g(εF ) (kB T )2 (33)
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for the energy density. The heat capacity is trivially

π2 2
cV = g(εF )kB T. (34)
3
You may verify that, by plugging in g2D (ε), the same expression as in Tutorial 2 is
obtained. But in addition to the 2D case, which we could solve more-or-less analytically,
we now have a formula for any dimension. In particular, as pointed out above, we see that
cV ∼ T in any dimension. This is in stark contrast to bosons for which the temperature
dependence of cV is different for the various dimensions.