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@INPROCEEDINGS{Rssmann:1020368,
      author       = {Rüssmann, Philipp and Antognini Silva, David and Hemmati,
                      Mohammad and Klepetsanis, Ilias and Trauzettel, Björn and
                      Mavropoulos, Phivos and Blügel, Stefan},
      title        = {{D}ensity-functional description of materials for
                      topological qubits and superconducting spintronics},
      reportid     = {FZJ-2024-00101},
      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 [1]. 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
                      [2]. As a model system we study magnetically-doped Pb [3].
                      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 [1].---[1] R. Cai,
                      I. Zutic, and W. Han, “Superconductor/Ferromagnet
                      Heterostructures: A Platform for Supercon-ducting
                      Spintronics and Quantum Computation,” Advanced Quantum
                      Technologies 6(1), 2200080 (2023).[2] P. Rüßmann, and S.
                      Blügel, “Density functional Bogoliubov-de Gennes analysis
                      of superconducting Nb and Nb(110) surfaces”, Phys. Rev. B
                      105, 125143 (2022).[3] P. Rüßmann, D. Antognini Silva, M.
                      Hemmati, I. Klepetsanis, B.Trauzettel, P. Mavropoulos, and
                      S. Blügel, “Density-functional description of materials
                      for topological qubits and superconducting spintronics”,
                      arXiv:2308.07383 (2023).},
      month         = {Sep},
      date          = {2023-09-13},
      organization  = {ML4Q Annual Conference 2023,
                       Königswinter (Germany), 13 Sep 2023 -
                       15 Sep 2023},
      subtyp        = {Other},
      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)24},
      url          = {https://juser.fz-juelich.de/record/1020368},
}