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@ARTICLE{Baud:43930,
      author       = {Baud, S. and Ramseyer, C. and Bihlmayer, G. and Blügel, S.
                      and Barreteau, B. R. and Desjonquères, M. C. and Spanjaard,
                      D. and Bernstein, N.},
      title        = {{C}omparative study of ab initio and tight-binding
                      electronic structure calculations applied to platinum
                      surfaces},
      journal      = {Physical review / B},
      volume       = {70},
      number       = {23},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-43930},
      pages        = {235423},
      year         = {2004},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {We have applied the full-potential linearized augmented
                      plane-wave (FLAPW) ab initio method and the spd
                      tight-binding (TB) model to the calculations of the surface
                      energies E-S(hkl) and relaxations of the three low-index
                      [(111), (100), (110)] surfaces of platinum. The two methods
                      give similar results, and in particular the anisotropy
                      ratios E-S(110)/E-S(111) and E-S(100)/E-S(111) are very
                      close. The calculation of surface energy of reconstructed
                      (1x2) Pt(110) confirms that this face undergoes a
                      missing-row reconstruction and the corresponding structural
                      parameters agree well with experiment. The local densities
                      of states (LDOS) calculated by each of the methods on the
                      flat surfaces are almost the same. We have also investigated
                      the 6(111)x((1) over bar 11) vicinal surface and found a
                      similar agreement for the LDOS.},
      keywords     = {J (WoSType)},
      cin          = {IFF-TH-I},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB30},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK242},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000226112100148},
      doi          = {10.1103/PhysRevB.70.235423},
      url          = {https://juser.fz-juelich.de/record/43930},
}