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@ARTICLE{Friedrich:836975,
      author       = {Friedrich, Rico and Caciuc, Vasile and Zimmermann, Bernd
                      and Bihlmayer, Gustav and Atodiresei, Nicolae and Blügel,
                      Stefan},
      title        = {{C}reating anisotropic spin-split surface states in
                      momentum space by molecular adsorption},
      journal      = {Physical review / B},
      volume       = {96},
      number       = {8},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2017-05997},
      pages        = {085403},
      year         = {2017},
      abstract     = {In this ab initio study we demonstrate that molecular
                      adsorption on a surface Rashba system can be used to
                      modulate the surface electronic structure in different
                      momentum space directions, i.e., to create anisotropic spin
                      splittings in k space. This effect is rooted in the
                      asymmetric adsorption of the molecules on the surface in a
                      hollow site which breaks the surface symmetry. More
                      specifically, we demonstrate that the physisorbed NH3 has a
                      small influence on the surface Rashba states and only gives
                      rise to variations of the surface state Rashba parameters up
                      to a factor of 1.4 over the surface Brillouin zone. In
                      contrast, the chemisorption of BH3 leads to variations of
                      the Rashba parameter by more than a factor of 2.5.
                      Consequently, the anisotropy of the Rashba-split-surface
                      states induced by molecular adsorption also gives rise to a
                      modulation of the surface state spin texture, i.e., the
                      out-of-plane spin polarization varies along different k
                      directions by up to $70\%$ for the occupied states. This
                      offers the possibility to change the spin direction from
                      in-plane to predominantly out-of-plane by modifying the
                      electronic momentum by 90°.},
      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          = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
                      Controlling Configuration-Based Phenomena (POF3-143) /
                      Magnetic Anisotropy of Metallic Layered Systems and
                      Nanostructures $(jiff13_20131101)$ / Structural, electronic
                      and magnetic properties of hybrid interfaces
                      $(jias10_20161101)$},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143 /
                      $G:(DE-Juel1)jiff13_20131101$ /
                      $G:(DE-Juel1)jias10_20161101$},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000406752500005},
      doi          = {10.1103/PhysRevB.96.085403},
      url          = {https://juser.fz-juelich.de/record/836975},
}