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@MISC{Rssmann:1008879,
      author       = {Rüssmann, Philipp and Blügel, Stefan},
      title        = {{D}ataset of proximity induced superconductivity in a
                      topological insulator},
      volume       = {2022.123},
      publisher    = {Materials Cloud},
      reportid     = {FZJ-2023-02523},
      year         = {2022},
      abstract     = {Interfacing a topological insulator (TI) with an s-wave
                      superconductor (SC) is a promising material platform that
                      offers the possibility to realize a topological
                      superconductor through which Majorana-based topologically
                      protected qubits can be engineered. In our computational
                      study of the prototypical SC/TI interface between Nb and
                      Bi₂Te₃, we identify the benefits and possible
                      bottlenecks of this potential Majorana material platform.
                      Bringing Nb in contact with the TI film induces charge
                      doping from the SC to the TI, which shifts the Fermi level
                      into the TI conduction band. For thick TI films, this
                      results in band bending leading to the population of trivial
                      TI quantum-well states at the interface. In the
                      superconducting state, we uncover that the topological
                      surface state experiences a sizable superconducting
                      gap-opening at the SC/TI interface, which is furthermore
                      robust against fluctuations of the Fermi energy. We also
                      show that the trivial interface state is only marginally
                      proximitized, potentially obstructing the realization of
                      Majorana-based qubits in this material platform.This dataset
                      contains the data for the DFT-based calculations for
                      interfaces between the s-wave superconductor Nb and the
                      topological insulator Bi₂Te₃ which is discussed in the
                      publication referenced below.},
      keywords     = {density-functional theory (Other) / superconductivity
                      (Other) / Bogoliubov-de Gennes (Other) / topological
                      materials (Other) / topological superconductor (Other)},
      cin          = {PGI-1 / IAS-1 / JARA-HPC / JARA-FIT},
      cid          = {I:(DE-Juel1)PGI-1-20110106 / I:(DE-Juel1)IAS-1-20090406 /
                      $I:(DE-82)080012_20140620$ / $I:(DE-82)080009_20140620$},
      pnm          = {5211 - Topological Matter (POF4-521) / EXC 2004:  Matter
                      and Light for Quantum Computing (ML4Q) (390534769)},
      pid          = {G:(DE-HGF)POF4-5211 / G:(BMBF)390534769},
      typ          = {PUB:(DE-HGF)32},
      doi          = {10.24435/MATERIALSCLOUD:ET-G4},
      url          = {https://juser.fz-juelich.de/record/1008879},
}