Anisotropic Migdal-Eliashberg theory using Wannier functions

Abstract

We combine the fully anisotropic Migdal-Eliashberg theory with electron-phonon interpolation based on maximally-localized Wannier functions, in order to perform reliable and highly accurate calculations of the anisotropic temperature-dependent superconducting gap and critical temperature of conventional superconductors. Compared with the widely used McMillan approximation, our methodology yields a more comprehensive and detailed description of superconducting properties, and is especially relevant for the study of layered or low-dimensional systems as well as systems with complex Fermi surfaces. In order to validate our method we perform calculations on two prototypical superconductors, Pb and MgB${}_2$, and obtain good agreement with previous studies.

13 pages, 8 figures

References in corpus (11)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Maximally localized Wannier functions: Theory and applications
• Scanning tunneling spectroscopy of high-temperature superconductors
• Spectral and Fermi surface properties from Wannier interpolation
• New Superconducting and Semiconducting Fe-B Compounds Predicted with an Ab Initio Evolutionary Search
• Giant non-adiabatic effects in layer metals: Raman spectra of intercalated graphite explained
• Prediction of new crystal structure phases in metal borides: a lithium monoboride analog to MgB2
• Maximally-localized Wannier functions for GW quasiparticles
• Phononic Self energy effects and superconductivity in CaC${}_6$
• Thermodynamic stabilities of ternary metal borides: An ab initio guide for synthesizing layered superconductors
• Theory of electron-phonon superconductivity: Does retardation really lead to a small Coulomb pseudopotential?

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