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@INPROCEEDINGS{AntogniniSilva:1020445,
      author       = {Antognini Silva, David},
      collaboration = {Rüssmann, Philipp and Blügel, Stefan},
      title        = {{Y}u-{S}hiba-{R}usinov impurity bound states in
                      superconductors from first principles},
      reportid     = {FZJ-2024-00165},
      year         = {2023},
      abstract     = {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)},
      month         = {Mar},
      date          = {2023-03-27},
      organization  = {DPG Spring Meeting "SKM 2023", Dresden
                       (Germany), 27 Mar 2023 - 31 Mar 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)6},
      url          = {https://juser.fz-juelich.de/record/1020445},
}