First-principles approach to thin superconducting slabs and heterostructures

Csire, Gábor and Schönecker, S. and Ujfalussy, Balázs (2016) First-principles approach to thin superconducting slabs and heterostructures. PHYSICAL REVIEW B, 94 (14). ISSN 2469-9950

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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 super- conducting heterostructures.

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