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@ARTICLE{Busse:16070,
      author       = {Busse, C. and Lazic, P. and Djemour, R. and Coraux, J. and
                      Gerber, T. and Atodiresei, N. and Caciuc, V. and Brako, R.
                      and N'Diaye, A.T. and Blügel, S. and Zegenhagen, J. and
                      Michely, T.},
      title        = {{G}raphene on {I}r(111): {P}hysisorption with {C}hemical
                      {M}odulation},
      journal      = {Physical review letters},
      volume       = {107},
      issn         = {0031-9007},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-16070},
      pages        = {036101},
      year         = {2011},
      note         = {P.L. thanks the AvH foundation for support. Financial
                      support of the DFG (Forschergruppe 912, Bu2197/2-1,
                      Mi581/17-2) is gratefully acknowledged. The computations
                      were performed on JUROPA and JUGENE supercomputers at the
                      Julich Supercomputing Center, Forschungszentrum Julich
                      (Germany). The authors thank the staff at ESRF for technical
                      assistance.},
      abstract     = {The nonlocal van der Waals density functional approach is
                      applied to calculate the binding of graphene to Ir(111). The
                      precise agreement of the calculated mean height (h) over bar
                      = 3.41 angstrom of the C atoms with their mean height (h)
                      over bar = (3.38 +/- 0.04) angstrom as measured by the x-ray
                      standing wave technique provides a benchmark for the
                      applicability of the nonlocal functional. We find bonding of
                      graphene to Ir(111) to be due to the van der Waals
                      interaction with an antibonding average contribution from
                      chemical interaction. Despite its globally repulsive
                      character, in certain areas of the large graphene moire unit
                      cell charge accumulation between Ir substrate and graphene C
                      atoms is observed, signaling a weak covalent bond
                      formation.},
      keywords     = {J (WoSType)},
      cin          = {PGI-1 / IAS-1},
      ddc          = {550},
      cid          = {I:(DE-Juel1)PGI-1-20110106 / I:(DE-Juel1)IAS-1-20090406},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Physics, Multidisciplinary},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000292690400004},
      doi          = {10.1103/PhysRevLett.107.036101},
      url          = {https://juser.fz-juelich.de/record/16070},
}