Sommerfeld Expansion
The Sommerfeld expansion is the low-temperature asymptotic expansion of an energy integral weighted by the Fermi–Dirac occupation. Its standard form turns
into a zero-temperature integral plus derivatives of the smooth factor evaluated at the chemical potential.
Here
is the Fermi–Dirac distribution, and is the lower edge of the one-particle spectrum or band under consideration.
The method works because a low-temperature Fermi function differs from the step function only in a narrow energy window of width . If varies smoothly across that window, only its local derivatives near matter.
The derivatives determine the thermal correction at a specified chemical potential. Holding particle number fixed adds a second step: solve for before computing energy or heat capacity. The degenerate-gas discussion explains why this narrow shell controls the physics.
Helpful background. Fermi–Dirac statistics gives the occupation function; asymptotic analysis explains finite truncations and remainders.
Smooth energy factors near the chemical potential
Section titled “Smooth energy factors near the chemical potential”It is useful to abbreviate the thermal energy by
The expansion parameter is not temperature by itself. It is a dimensionless ratio such as
where is the smallest energy scale over which changes appreciably near . The distance to a band edge or singularity can be an equally important scale.
Unless stated otherwise, assume:
- and lies inside a continuum of states;
- ;
- is sufficiently differentiable near ;
- and its derivatives grow slowly enough for the integrals to exist;
- no discontinuity, gap edge, or van Hove singularity lies within the thermal window;
- the continuum integral is appropriate, so the relevant level spacing is much smaller than .
The Asymptotic Analysis page explains why an asymptotic series need not converge to be useful.
Statement of the Expansion
Section titled “Statement of the Expansion”Under the stated assumptions,
At fixed and for a temperature-independent smooth factor, only odd derivatives of and even powers of occur in the algebraic correction. The reason is a particle–hole symmetry of the thermal broadening kernel about .
The general formal series is
with
The first coefficients are
The symbol emphasizes asymptotic equality as tends to zero under fixed smoothness and scale assumptions.
The Thermal Window
Section titled “The Thermal Window”Two related functions encode the low-temperature localization. The occupation smooths the zero-temperature step, while
is a positive kernel concentrated near , normalized on the full energy line.
On a fixed energy scale , cooling narrows . The kernel keeps unit area, so its height grows as its width shrinks.
On the full energy line,
Its odd central moments vanish. The first nonzero even moments are
and
Thus approaches the Dirac delta distribution as :
The Sommerfeld expansion refines this delta-kernel limit by retaining its even moments.
Derivation from the Smeared Step
Section titled “Derivation from the Smeared Step”Define the zero-temperature contribution at the same value of :
The thermal correction is
The first term counts thermally occupied states above ; the second subtracts holes created below .
Set
Using
the exact correction is the difference of an integral over and one over . To derive an algebraic expansion, first restrict both to a fixed smooth neighborhood , with . Outside it the occupation correction is exponentially suppressed. Inside it expand , then extend the integrals of the Taylor terms to infinity. This leads formally to
as an asymptotic shorthand, not permission to evaluate a physical below its band edge. For example, has no real continuation through zero of the required form. The finite Taylor expansion and localization justify the powers of ; the omitted distant parts are exponentially small in under the stated integrability assumptions.
Formally Taylor-expanding about yields
Even derivatives cancel because the expression is antisymmetric under .
The required Fermi moments are
for the values used here. Substituting cancels and gives
For a controlled truncation use a finite Taylor polynomial with remainder, rather than assuming that the displayed infinite Taylor series converges. NIST DLMF §25.12(iii) gives the associated Fermi-integral definitions and normalization conventions.
Derivation with the Kernel
Section titled “Derivation with the Kernel”The derivative-kernel form is often more efficient. Introduce an antiderivative
Integration by parts gives
provided the boundary terms vanish. Expand about :
Only even moments of survive. Since
and
the same series follows immediately.
This form also gives the useful companion rule
Transport and response calculations often begin in this form.
What Controls the Approximation
Section titled “What Controls the Approximation”The mnemonic is sufficient for a smooth free-particle density of states, but it is not the general criterion. Several independent checks are needed.
Smoothness near the chemical potential
Section titled “Smoothness near the chemical potential”The displayed coefficients through use derivatives through order . That alone does not establish an remainder. A convenient sufficient local assumption is bounded derivatives through order on a temperature-independent neighborhood of , together with integrable tail bounds. For the displayed formula, bounded fifth derivatives give the next estimate. Weaker assumptions can give weaker remainders.
A practical variation scale is
when the ratio is meaningful. One needs small compared with the relevant .
Distance from spectral edges
Section titled “Distance from spectral edges”For a lower edge , require
For a finite band with upper edge , also require
Otherwise the thermal kernel samples an edge and the extension to an infinite range is not legitimate.
Absence of nearby singularities
Section titled “Absence of nearby singularities”The ordinary series can fail when the density of states has a cusp, jump, logarithmic divergence, or power-law singularity at . Nonanalytic corrections such as , fractional powers, or edge-controlled exponentials may replace the regular even-power series.
A chemical potential in a gap
Section titled “A chemical potential in a gap”If lies in a true gap, the ideal one-particle density of states vanishes throughout its neighborhood. All local algebraic coefficients can vanish while thermally activated contributions from the edges remain. A power series around misses these terms. Other gapless collective modes, if present in an interacting system, need their own treatment.
Continuum resolution
Section titled “Continuum resolution”The expansion acts on an integral. In a finite system with mean one-particle level spacing , the smooth continuum approximation additionally needs
If , individual levels, shell effects, parity effects, or Schottky-like crossovers can dominate.
Temperature-independent smooth factor
Section titled “Temperature-independent smooth factor”If depends explicitly on temperature, the Sommerfeld series expands only the Fermi weighting. The explicit dependence must be retained and differentiated separately.
Algebraic and Exponential Corrections
Section titled “Algebraic and Exponential Corrections”The Sommerfeld series captures corrections in powers of . It generally omits terms exponentially small in the distance from to a spectral edge.
For example,
When ,
Because has vanishing odd derivatives, the algebraic Sommerfeld series stops at . The remaining correction is not zero; it is beyond all orders in .
Fixed Chemical Potential and Fixed Particle Number
Section titled “Fixed Chemical Potential and Fixed Particle Number”Keeping fixed allows particles to enter or leave as the temperature changes. Keeping the mean density fixed instead requires adjusting . These are different physical constraints.
For a density of states that counts all included internal components, the mean particle number is
At fixed ,
Thus the particle number generally changes with temperature in the grand canonical ensemble.
At fixed , define the Fermi energy by
Write
Expanding the number constraint to order gives
where is required for the following inversion, and
Therefore
The sign is controlled by the local slope of the density of states:
- if , then decreases;
- if , then increases;
- if , the shift vanishes.
The Chemical Potential page gives the broader thermodynamic meaning of this adjustment.
Energy at Fixed Particle Number
Section titled “Energy at Fixed Particle Number”For noninteracting particles with one-particle energy ,
At fixed , apply the expansion with
At fixed , however, also shifts. Expanding around gives
Substituting the fixed-number shift cancels the terms proportional to :
The constant-volume heat capacity at fixed particle number is therefore
This result is universal within the smooth noninteracting setting: the leading coefficient depends on the density of one-particle states at the Fermi energy, not on its slope.
Entropy and Free Energy
Section titled “Entropy and Free Energy”Define the Sommerfeld coefficient
Then, at fixed and ,
Because for a nondegenerate many-body ground state and
the entropy is
The Helmholtz free energy follows from :
Equivalently,
These relations connect the expansion to the Thermodynamic Potentials page.
Grand potential from the integrated density of states
Section titled “Grand potential from the integrated density of states”Define . Integration by parts in the exact ideal-gas grand potential gives
The lower boundary vanishes because ; the upper boundary vanishes under the convergence assumptions. Applying the expansion to directly gives
where . Differentiating recovers . This direct derivation avoids trying to fix an integration constant by extrapolating the low-temperature expansion into the empty-band regime, where its interior-band assumptions fail.
Worked Example: Three-Dimensional Free Gas
Section titled “Worked Example: Three-Dimensional Free Gas”For a uniform nonrelativistic gas in three dimensions,
where includes volume and internal degeneracy. Hence
The fixed-number chemical potential is
where .
The zero-temperature state count gives
Therefore
and
The Fermi Momentum and Fermi Energy page derives the state-counting formulas behind .
Worked Example: Constant Density of States
Section titled “Worked Example: Constant Density of States”In an ideal two-dimensional quadratic band,
above the band bottom. The algebraic fixed-number shift vanishes because .
The number equation can be integrated exactly:
Defining gives
Equivalently,
Thus
The absence of a term does not make exactly temperature independent. The leading shift is exponentially small and therefore invisible to every algebraic order of the Sommerfeld series.
Power-Law Density of States
Section titled “Power-Law Density of States”Suppose near the Fermi energy
with well above the lower edge. Then
so
For a quadratic dispersion in dimensions,
The leading shift is therefore positive in one dimension, exponentially small rather than algebraic in the ideal two-dimensional continuum, and negative in three dimensions. The one-dimensional formula still requires because the density of states diverges at the band edge. Low-Dimensional Quantum Gases derives the corresponding state counts and explains dimensional crossover.
Exercises
Section titled “Exercises”Compare one, two, and three dimensions
Section titled “Compare one, two, and three dimensions”For a quadratic dispersion in dimensions, use
to find the leading fixed- chemical-potential shift for . State the limitation of the two-dimensional algebraic result.
Solution
The power-law exponent is
so
Therefore
In two dimensions, the physical chemical potential is not exactly constant. For an unbounded quadratic band with a lower edge, its leading shift is
which is beyond all algebraic orders.
Diagnose a nonanalytic local factor
Section titled “Diagnose a nonanalytic local factor”Suppose the odd part of the smooth factor is replaced near by the nonanalytic form
with and not an odd positive integer. Determine the temperature scaling of and explain why the ordinary Sommerfeld series does not apply.
Solution
Insert the local form into the thermal correction:
The correction scales as rather than an even integer power determined by an odd derivative at . The required Taylor derivative does not exist or is not finite, so the regular Sommerfeld assumptions fail. Directly integrating the singular local form gives the correct scaling.
Check a cubic weight by direct integration
Section titled “Check a cubic weight by direct integration”For , lower edge zero and fixed , write the expansion through . Explain why no further algebraic terms occur and how direct quadrature could still differ.
Solution
Using and ,
Higher odd derivatives vanish. The exact integral still contains a lower-edge correction: subtracting the displayed polynomial gives , whose leading behavior is . Splitting a quadrature interval near resolves the thermal window without requiring a uniform fine grid everywhere.
References
Section titled “References”- N. W. Ashcroft and N. D. Mermin, Solid State Physics, Holt, Rinehart and Winston (1976), Chapters 2 and 3 — free-electron thermodynamics and low-temperature expansion.
- K. Huang, Statistical Mechanics, 2nd ed., Wiley (1987), Chapter 12 — Fermi gas, density of states, and degenerate limit.
- L. D. Landau and E. M. Lifshitz, Statistical Physics, Part 1, 3rd ed., Butterworth-Heinemann (1980), §§57–58 — degenerate ideal Fermi gases and low-temperature thermodynamics.
- G. D. Mahan, Many-Particle Physics, 3rd ed., Kluwer Academic/Plenum (2000) — low-energy Fermi systems and response integrals weighted by the Fermi window.
- NIST Digital Library of Mathematical Functions, §25.12(iii), Fermi–Dirac and Bose–Einstein Integrals — definitions, normalization conventions, and relations to polylogarithms.
- R. K. Pathria and P. D. Beale, Statistical Mechanics, 3rd ed., Elsevier (2011), Chapter 8 — systematic treatment of ideal Fermi gases and the Sommerfeld lemma.
- A. Sommerfeld, “Zur Elektronentheorie der Metalle auf Grund der Fermischen Statistik. I. Teil”, Zeitschrift für Physik 47, 1–32 (1928) — original application of Fermi statistics to electrons in metals.
- A. Sommerfeld, “Zur Elektronentheorie der Metalle auf Grund der Fermischen Statistik. II. Teil”, Zeitschrift für Physik 47, 43–60 (1928) — continuation covering thermoelectric and magnetic transport effects.