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arXiv · 2404.11528

Efficient anisotropic Migdal-Eliashberg calculations with the Intermediate Representation basis and Wannier interpolation

Hitoshi Mori·Takuya Nomoto·Ryotaro Arita·Elena R. Margine
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Abstract

In this study, we combine the ab initio Migdal-Eliashberg approach with the intermediate representation for the Green's function, enabling accurate and efficient calculations of the momentum-dependent superconducting gap function while fully considering the effect of the Coulomb retardation. Unlike the conventional scheme that relies on a uniform sampling across Matsubara frequencies - demanding hundreds to thousands of points - the intermediate representation works with fewer than 100 sampled Matsubara Green's functions. The developed methodology is applied to investigate the superconducting properties of three representative low-temperature elemental metals: aluminum (Al), lead (Pb), and niobium (Nb). The results demonstrate the power and reliability of our computational technique to accurately solve the ab initio anisotropic Migdal-Eliashberg equations even at extremely low temperatures, below 1 Kelvin.

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Hitoshi Mori, Takuya Nomoto, Ryotaro Arita, Elena R. Margine. 2024-04-17. Efficient anisotropic Migdal-Eliashberg calculations with the Intermediate Representation basis and Wannier interpolation. https://doi.org/10.1103/physrevb.110.064505

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