%0 Conference Paper
%A Antognini Silva, David
%T Yu-Shiba-Rusinov impurity bound states in superconductors from first principles
%M FZJ-2024-00165
%D 2023
%X Materials that combine magnetism, spin-orbit interaction and conventional s-wave superconductivity are a suitable platform to study Majorana zero modes (MZM) [1], that can be used as building blocks of fault-tolerant topological qubits. In general, magnetic impurities in superconductors leads to localized Yu-Shiba-Rusinov (YSR) states at the impurity [2]. Understanding their interplay with MZMs is crucial to achieve topological quantum computers in the future.In our work, we implemented the Bogoliubov-de Gennes (BdG) formalism in the juKKR Korringa-Kohn-Rostoker Green function impurity code (https://iffgit.fz-juelich.de/kkr/jukkr) to allow the material-specific description of defects perfectly embedded in superconductors from first principles. We apply it to an Fe impurity embedded in bulk Pb in the normal and superconducting state, then analyse the YSR states of different magnetic transition-metal adatoms placed on a superconducting Nb(110) surface where the influence of the impurity-substrate distance on the energy of the YSR states is discussed.[1] Nadj-Perge et al., Science 346, 6209 (2014)[2] L. Yu, Acta Physica Sinica 21, 75 (1965), H. Shiba, Prog. Theor. Phys. 40, 435 (1968) A. I. Rusinov, Sov. J. Exp. Theor. Phys. 29, 1101 (1969)
%B DPG Spring Meeting "SKM 2023"
%C 27 Mar 2023 - 31 Mar 2023, Dresden (Germany)
Y2 27 Mar 2023 - 31 Mar 2023
M2 Dresden, Germany
%F PUB:(DE-HGF)6
%9 Conference Presentation
%U https://juser.fz-juelich.de/record/1020445