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@INPROCEEDINGS{Rmann:1019945,
      author       = {Rüßmann, Philipp and Antognini Silva, David and Hemmati,
                      Mohammad and Klepetsanis, Ilias and Trauzettel, Björn and
                      Mavropoulos, Phivos and Blügel, Stefan},
      editor       = {Wegrowe, Jean-Eric and Razeghi, Manijeh and Friedman,
                      Joseph S.},
      title        = {{D}ensity-functional description of materials for
                      topological qubits and superconducting spintronics},
      publisher    = {SPIE},
      reportid     = {FZJ-2023-05766},
      pages        = {126560S},
      year         = {2023},
      abstract     = {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.},
      month         = {Aug},
      date          = {2023-08-20},
      organization  = {Spintronics XVI, San Diego (United
                       States), 20 Aug 2023 - 25 Aug 2023},
      cin          = {IAS-1 / PGI-1},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106},
      pnm          = {5211 - Topological Matter (POF4-521) / DFG project
                      390534769 - EXC 2004: Materie und Licht für
                      Quanteninformation (ML4Q) (390534769)},
      pid          = {G:(DE-HGF)POF4-5211 / G:(GEPRIS)390534769},
      typ          = {PUB:(DE-HGF)8},
      doi          = {10.1117/12.2678145},
      url          = {https://juser.fz-juelich.de/record/1019945},
}