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@ARTICLE{Schweflinghaus:155845,
      author       = {Schweflinghaus, Benedikt and dos Santos Dias, Manuel and
                      Costa, Antonio T. and Lounis, Samir},
      title        = {{R}enormalization of electron self-energies via their
                      interaction with spin excitations: {A} first-principles
                      investigation},
      journal      = {Physical review / B},
      volume       = {89},
      number       = {23},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {FZJ-2014-04803},
      pages        = {235439},
      year         = {2014},
      abstract     = {Access to magnetic excitation spectra of single atoms
                      deposited on surfaces is nowadays possible by means of
                      low-temperature inelastic scanning tunneling spectroscopy.
                      We present a first-principles method for the calculation of
                      inelastic tunneling spectra utilizing the
                      Korringa-Kohn-Rostoker Green function method combined with
                      time-dependent density functional theory and many-body
                      perturbation theory. The key quantity is the electron
                      self-energy describing the coupling of the electrons to the
                      spin excitation within the adsorbate. By investigating Cr,
                      Mn, Fe, and Co adatoms on a Cu(111) substrate, we
                      spin-characterize the spectra and demonstrate that their
                      shapes are altered by the magnetization of the adatoms, of
                      the tip and the orbital decay into vacuum. Our method also
                      predicts spectral features more complex than the steps
                      obtained by simpler models for the adsorbate (e.g.,
                      localized spin models)},
      cin          = {PGI-1 / IAS-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-1-20110106 / I:(DE-Juel1)IAS-1-20090406},
      pnm          = {422 - Spin-based and quantum information (POF2-422)},
      pid          = {G:(DE-HGF)POF2-422},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000339049700008},
      doi          = {10.1103/PhysRevB.89.235439},
      url          = {https://juser.fz-juelich.de/record/155845},
}