Ab initio study of orbital-selective superconductivity in -BiPd
Phys. Rev. B 112, 214518 – Published 23 December, 2025
DOI: https://doi.org/10.1103/3l59-8g35
Abstract
We investigate the superconducting (SC) properties of experimentally realized -BiPd by solving the anisotropic Migdal-Eliashberg equations in conjunction with ab initio relativistic calculations of the electron and phonon band structures as well as electron-phonon coupling (EPC) matrix elements. Our study reveals that -BiPd possesses a complex Fermi surface (FS), consisting of two electron pockets and one hole pocket, each characterized by distinct atomic orbitals. Our key finding is that the superconductivity in -BiPd is primarily orbital selective, arising from Bi orbitals, and distributed anisotropically on the FS, although contribution from Pd orbitals, particularly on the hole pocket, is also discernible. While our results show an anisotropic nature of the k-dependent SC gap and EPC strength across the FS, calculated superconducting quasiparticle density of states spectra exhibit a U-shaped gap and distribution forms a single peak, being consistent with the spin-singlet -wave superconductivity observed in this material. The calculated is , agreeing in order of magnitude with the experimental value of 3.3 K in -BiPd thin films. The predicted EPC-enhanced Sommerfeld coefficient of is similar to the experimental value of the isoelectronic and isostructural alloy.