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Variational solution of the superconducting Anderson impurity model and the band-edge singularity phenomena

Teodor Iličin, Rok Žitko

SciPost Phys. 19, 006 (2025) · published 2 July 2025

Abstract

We propose a set of variational wavefunctions for the sub-gap spin-doublet and spin-singlet eigenstates of the particle-hole symmetric superconducting Anderson impurity model. The wavefunctions include up to two Bogoliubov quasiparticles in the continuum which is necessary to correctly capture the weak-coupling asymptotics in all parameter regimes. The eigenvalue problems reduce to solving transcendental equations. We investigate how the lowest singlet state evolves with increasing charge repulsion U, transitioning from a proximitized state (a superposition of empty and doubly occupied impurity orbitals, corresponding to an Andreev bound state) to a local moment that is Kondo screened by Bogoliubov quasiparticles (Yu-Shiba-Rusinov state). This change occurs for U=2Δ, where Δ is the BCS gap. At this point, the band-edge effects make the eigenenergy scale in a singular way as Γ2/3, where Γ is the hybridization strength. Away from this special point, regular Γ-linear behavior is recovered, but only for Γ(U/2Δ)2/Δ. The singular behavior thus extends over a broad range of parameters, including those relevant for some quantum devices in current use. The singular state is an equal-superposition state with maximal fluctuations between the local impurity charge configurations. Accurately capturing the band-edge singularity requires a continuum model, and it cannot be correctly described by discrete (truncated) models such as the zero-bandwidth approximation or the superconducting atomic limit. We determine the region of parameter space where the second spin-singlet state exists: in addition to the whole U<2Δ ABS region, it also includes a small part of the U>2Δ YSR region for finite values of Γ, as long as some ABS wavefunction component is admixed.

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