First-principles approach to thin superconducting slabs and heterostructures

Gábor Csire; Stephan Schönecker; Balázs Újfalussy

doi:10.1103/PhysRevB.94.140502

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First-principles approach to thin superconducting slabs and heterostructures

Gábor Csire, Stephan Schönecker, Balázs Újfalussy

DOI 10.1103/PhysRevB.94.140502 · Physical Review B

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Abstract

We present a fully first-principles method for superconducting thin films. The layer dependent phonon spectrum is calculated to determine the layer dependence of the electron-phonon coupling for such systems, which is coupled to the Kohn–Sham–Bogoliubov–de Gennes equations, and it is solved in a parameter-free way. The theory is then applied to different surface facets of niobium slabs and to niobium-gold heterostructures. We investigate the dependence of the transition temperature on the thickness of the slabs and the inverse proximity effect observed in thin superconducting heterostructures.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
Nb Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	11.3	Pressure not reported	unknown
Nb Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	9.2	Pressure not reported	unknown