% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Rssmann:907131,
      author       = {Rüssmann, Philipp and Blügel, Stefan},
      title        = {{D}ensity functional {B}ogoliubov-de {G}ennes analysis of
                      superconducting {N}b and {N}b(110) surfaces},
      journal      = {Physical review / B},
      volume       = {105},
      number       = {12},
      issn         = {1098-0121},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2022-01858},
      pages        = {125143},
      year         = {2022},
      abstract     = {We report on the implementation of the Bogoliubov-de Gennes
                      method into the JuKKR code, an implementation of the
                      relativistic all-electron, full-potential
                      Korringa-Kohn-Rostoker Green function method, which allows a
                      material-specific description of inhomogeneous
                      superconductors and heterostructures on the basis of density
                      functional theory. We describe the formalism and report on
                      calculations for the s-wave superconductor Nb, a potential
                      component of the materials platform enabling the realization
                      of the Majorana zero modes in the field of topological
                      quantum computing. We compare the properties of the
                      superconducting state both in the bulk and for (110)
                      surfaces. We compare slab calculations for different
                      thicknesses, the effect of surface relaxations, and the
                      influence of a softening of phonon modes on the surface for
                      the resulting superconducting gap.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$},
      pnm          = {5211 - Topological Matter (POF4-521)},
      pid          = {G:(DE-HGF)POF4-5211},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000800774700004},
      doi          = {10.1103/PhysRevB.105.125143},
      url          = {https://juser.fz-juelich.de/record/907131},
}