Efficient calculation of anisotropic Fermi surface problems through Helmholtz Fermi Surface Harmonics (HFSH)

Sep 11, 2019, 9:50 AM
Student Communication Morning Session 1


Jon Lafuente-Bartolome (University of the Basque Country (UPV/EHU))


In metals, the details of the Fermi surface and the magnitude of the matrix elements connecting different points defined on it determine most of their transport properties, which are limited by the electron-phonon coupling and the scattering by impurities. Typically, the calculation of an anisotropic physical property defined on the Fermi surface, say in an impurity or Boltzmann transport problem, requires the consideration of several thousands of points on the surface. In contrast, the Helmholtz Fermi Surface Harmonics (HFSH) technique allows us to accurately treat these problems considering few elements of the HFSH set.

Here we introduce the recent developments we have implemented in this direction, including the symmetry treatment and the derived selection rules, and we show a representative benchmarking list of examples illustrating the potential of this method.

Topic 6. Theoretical and experimental methods

Primary authors

Jon Lafuente-Bartolome (University of the Basque Country (UPV/EHU)) Dr Idoia G. Gurtubay (University of the Basque Country (UPV/EHU)) Dr Asier Eiguren (University of the Basque Country (UPV/EHU))

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