Physical review. B, Condensed matter · 1978 · 219 citations · 17 references
Natural SciencesMaterials SciencePhysicsComputational Materials ScienceComputational PhysicsCondensed Matter PhysicsAb Initio MethodsApproximation MethodsVariational FormulationFermi SurfaceMatrix Equation SolversPolynomial Basis FunctionsVariational Methods In Partial Differential Equations
The work builds on the connection between Boltzmann theory and variational methods, drawing analogies to Eliashberg theory for superconducting transition temperatures. The authors introduce a new set of basis functions—products of Fermi‑surface harmonics and energy polynomials—to reformulate the semiclassical Boltzmann equation. These orthonormal basis functions lead to a simple matrix equation whose elements are integrals over generalized electron‑phonon spectral functions, enabling efficient truncation. The resulting matrix formulation reproduces the standard variational solution at low order, provides explicit scattering‑operator equations and a perturbative resistivity formula, and makes explicit the link between high‑temperature resistance and superconducting transition temperatures.
A new set of basis functions is introduced, consisting of products of Fermi-surface harmonics ${F}_{J}(k)$ and polynomials ${\ensuremath{\sigma}}_{n}(\ensuremath{\epsilon})$ in the energy $\frac{(\ensuremath{\epsilon}\ensuremath{-}\ensuremath{\mu})}{{k}_{B}T}$. The former are orthonormal on the Fermi surface, and the latter are orthonormal with weight function $\ensuremath{-}\frac{\ensuremath{\partial}f}{\ensuremath{\partial}\ensuremath{\epsilon}}$. In terms of this set the exact semiclassical Boltzmann equation takes a particularly simple form, giving a matrix equation which can probably be truncated at low order to high accuracy. The connection with variational methods is simple. Truncating at a 1 \ifmmode\times\else\texttimes\fi{} 1 matrix gives the usual variational solution where ${\ensuremath{\varphi}}_{k}$ is assumed proportional to ${\ensuremath{\nu}}_{\mathrm{kx}}$ for electrical conductivity and $(\ensuremath{\epsilon}\ensuremath{-}\ensuremath{\mu}){\ensuremath{\nu}}_{\mathrm{kx}}$ for thermal conductivity. Explicit equations are given for the matrix elements ${Q}_{Jn,{J}^{\ensuremath{'}}{n}^{\ensuremath{'}}}$ of the scattering operator for the case of phonon scattering, and a perturbation formula for $\ensuremath{\rho}$ is given which is accurate for weak anisotropy. The matrix elements are simple integrals over spectral functions ${\ensuremath{\alpha}}^{2}(\ifmmode\pm\else\textpm\fi{},J,{J}^{\ensuremath{'}})F(\ensuremath{\Omega})$ which generalize the electron-phonon spectral function ${\ensuremath{\alpha}}^{2}F(\ensuremath{\Omega})$ used in superconductivity theory. Analogies are described between Boltzmann theory and Eliashberg theory for ${T}_{c}$ of superconductors. The intimate relations between high-temperature resistance and the $s$- or $p$-wave transition temperature are made explicit.
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