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@ARTICLE{aolu:827753,
      author       = {Şaşıoğlu, E. and Hadipour, H. and Friedrich, Christoph
                      and Blügel, S. and Mertig, I.},
      title        = {{S}trength of effective {C}oulomb interactions and origin
                      of ferromagnetism in hydrogenated graphene},
      journal      = {Physical review / B},
      volume       = {95},
      number       = {6},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2017-01859},
      pages        = {060408},
      year         = {2017},
      abstract     = {Hydrogenation provides a novel way to tune the electronic
                      properties of graphene. Recent scanning tunneling microscopy
                      experiments have demonstrated that local graphene magnetism
                      can be selectively switched on and off by hydrogen (H)
                      dimers. Employing first-principles calculations in
                      conjunction with the constrained random-phase approximation
                      we determine the strength of the effective Coulomb
                      interaction U in hydrogenated graphene. We find that the
                      calculated U parameters are smaller than the ones in
                      graphene and depend on the H concentration. Moreover, the U
                      parameters are very sensitive to the position of H atoms
                      adsorbed on the graphene lattice. We discuss the instability
                      of the paramagnetic state of the hydrogenated graphene
                      towards the ferromagnetic one on the basis of calculated U
                      parameters within the Stoner model. Spin-polarized
                      calculations reveal that the itinerant ferromagnetism in
                      hydrogenated graphene can be well accounted for by the
                      Stoner model.},
      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)},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000393943300002},
      doi          = {10.1103/PhysRevB.95.060408},
      url          = {https://juser.fz-juelich.de/record/827753},
}