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@ARTICLE{Friedrich:188913,
      author       = {Friedrich, Rico and Caciuc, Vasile and Kiselev, Nikolai and
                      Atodiresei, Nicolae and Blügel, Stefan},
      title        = {{C}hemically functionalized magnetic exchange interactions
                      of hybrid organic-ferromagnetic metal interfaces},
      journal      = {Physical review / B},
      volume       = {91},
      number       = {11},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {FZJ-2015-02209},
      pages        = {115432},
      year         = {2015},
      abstract     = {We theoretically explore through systematic multiscale ab
                      initio and Monte Carlo calculations how the surface
                      magnetism of a ferromagnetic surface can be fine-tuned by
                      nonmagnetic organic molecules containing a single π bond.
                      We demonstrate that a magnetic hardening or softening can be
                      induced depending on the electronegativity of the heteroatom
                      or when the π-bond “bridges” the magnetic surface
                      atoms. Finally, the Monte Carlo simulations revealed
                      taylored macroscopic hysteresis loops corresponding to soft
                      and hard molecule-surface magnets.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
                      Controlling Configuration-Based Phenomena (POF3-143)},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000351875400003},
      doi          = {10.1103/PhysRevB.91.115432},
      url          = {https://juser.fz-juelich.de/record/188913},
}