Gap Anisotropy in Multiband Superconductors Based on Multiple Scattering Theory

Abstract

We implement the Bogoliubov-de Gennes (BdG) equation in a screened Korringa-Kohn-Rostoker (KKR) method for solving, self-consistently, the superconducting state for 3d crystals. This method combines the full complexity of the underlying electronic structure and Fermi surface geometry with a simple phenomenological parametrisation for the superconductivity. We apply this theoretical framework to the known s-wave superconductors Nb, Pb, and MgB${}_2$. In these materials multiple distinct peaks at the gap in the density of states were observed, showing significant gap anisotropy which is in good agreement with experiment. Qualitatively, the results can be explained in terms of the k-dependent Fermi velocities on the Fermi surface sheets exploiting concepts from BCS theory.

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• Real-space multiple scattering theory for superconductors with impurities
• Magnetically-textured superconductivity in elemental Rhenium
• Isotropic single gap superconductivity of elemental Pb: the `smiling' approach
• Identification of multiple-flux-quanta vortices by core states in the two-band superconductor Pb
• Full orbital decomposition of Yu-Shiba-Rusinov states based on first principles
• Inter-orbital Cooper pairing at finite energies in Rashba surface states
• Anisotropic, multiband, and strong-coupling superconductivity of the Pb0.64Bi0.36 alloy
• Magnetic impurities on superconducting Pb surfaces
• Magnetic anisotropy in Fe/U and Ni/U bilayers
• Probing Sign-Changing Order Parameters via Impurity States in unconventional superconductors: Implications for La${}_3$Ni${}_2$O${}_7$ Superconductors with interlayer pairing
• Visualization of defect-induced interband proximity effect at the nanoscale
• Ab initio study of Proximity-Induced Superconductivity in PbTe/Pb heterostructures
• Towards an effective mass model for the quasi-1D magnesium diboride superconducting nanostructures
• Density-functional description of materials for topological qubits and superconducting spintronics