%0 Conference Paper
%A Rüßmann, Philipp
%A Antognini Silva, David
%A Hemmati, Mohammad
%A Klepetsanis, Ilias
%A Trauzettel, Björn
%A Mavropoulos, Phivos
%A Blügel, Stefan
%Y Wegrowe, Jean-Eric
%Y Razeghi, Manijeh
%Y Friedman, Joseph S.
%T Density-functional description of materials for topological qubits and superconducting spintronics
%I SPIE
%M FZJ-2023-05766
%P 126560S
%D 2023
%X Interfacing superconductors with magnetic or topological materials offers a playground where novel phenomena like topological superconductivity, Majorana zero modes, or superconducting spintronics are emerging. In this work, we discuss recent developments in the Kohn-Sham Bogoliubov-de Gennes method, which allows to perform material-specific simulations of complex superconducting heterostructures on the basis of density functional theory. As a model system we study magnetically-doped Pb. In our analysis we focus on the interplay of magnetism and superconductivity. This combination leads to Yu-Shiba-Rusinov (YSR) in-gap bound states at magnetic defects and the breakdown of superconductivity at larger impurity concentrations. Moreover, the influence of spin-orbit coupling and on orbital splitting of YSR states as well as the appearance of a triplet component in the order parameter is discussed. These effects can be exploited in S/F/S-type devices (S=superconductor, F=ferromagnet) in the field of superconducting spintronics.
%B Spintronics XVI
%C 20 Aug 2023 - 25 Aug 2023, San Diego (United States)
Y2 20 Aug 2023 - 25 Aug 2023
M2 San Diego, United States
%F PUB:(DE-HGF)8
%9 Contribution to a conference proceedings
%R 10.1117/12.2678145
%U https://juser.fz-juelich.de/record/1019945