First principles based theory of magnetic impurities embedded onto the surface of superconducting host, an application to FeNb(110)*

In this talk we describe a new, first principles based theory of
magnetic impurities on superconducting surfaces and multilayers. We show, how the Green's function embedding technique, commonplace in multiple scattering theory, can be extended to the fully relativistic
Bogoliubov-de Gennes equation in such systems. We use the resulting
theory to study the Yu-Shiba-Rusinov (YSR) states in atomic chains of Fe
on top of Re and Nb surfaces, and compare our results to recent
experimental findings and previous tight-binding calculations. We also
investigate the formation of the YSR states in the presence of different
magnetic configurations and study the effect of spin-orbit coupling as
well.