Regensburg 2022 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 1: Topology: Majorana Physics
TT 1.9: Talk
Monday, September 5, 2022, 12:00–12:15, H10
Quantitative theory of of Yu-Shiba-Rusinov states of magnetic adatoms on Nb(110) surface and various overlayers — •Balazs Ujfalussy1, Andras Laszloffy1, Bendeguz Nyari2, Kyungwha Park3, and Laszlo Szunyogh2 — 1Wigner Research Centre for Physics, Budapest, Hungary — 2Budapest University of Technology, Budapest, Hungary — 3Department of Physics, Virginia Tech, Blacksburg, Virginia, USA
We present a fully relativistic first-principles-based theoretical approach for the calculation of the spectral properties of Fe, Co, Cr and Mn adatoms on the surface of Nb(110) substrate in the superconducting state, providing a material-specific framework for the investigation of the Yu-Shiba-Rusinov (YSR) states. We study the effect of spin-orbit coupling, the strength of the exchange field and induced moments. Furthermore, we attempt to explain certain features of the STM experiments, and to link some properties to the normal state density of states. In order to study the effect of the substrate, we provide results for the YSR states in the case of impurities on various Nb(110)/overlayer systems as well. We also study the formation of a zero-bias peak for single adatoms and dimers.