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@ARTICLE{DaSilva:52410,
      author       = {Da Silva, J. L. F. and Schroeder, K. and Blügel, S.},
      title        = {{L}inear scaling of the interlayer relaxations of the
                      vicinal {C}u(p,p,p-2) surfaces with the number of atom-rows
                      in the terraces},
      journal      = {Surface science},
      volume       = {600},
      issn         = {0039-6028},
      address      = {Amsterdam},
      publisher    = {Elsevier},
      reportid     = {PreJuSER-52410},
      pages        = {3008 - 3014},
      year         = {2006},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {We investigate the multilayer relaxation trends in the
                      vicinal Cu(p,p,p - 2) surfaces employing the all-electron
                      full-potential linearized augmented plane-wave method.
                      Calculations are performed for the (3 3 1), (2 2 1), (5 5
                      3), (3 3 2), (7 7 5), and (4 4 3) surfaces, which have 3, 4,
                      5, 6, 7, and 8 atom-rows in the terrace, respectively. The
                      following trends are identified: (i) The interlayer
                      relaxations perpendicular to the surface scale almost
                      linearly with the number of atom-rows in the terraces. (ii)
                      The nearest-neighbor distances do not depend on the surface
                      termination, but only on the local coordination. (iii) For
                      Cu(p,p,p - 2) in which the topmost n surface layers have
                      nearest-neighbor coordination smaller than the bulk Cu
                      (calculated for the unrelaxed surfaces), the topmost (n - 1)
                      interlayer spacings (d(12),..., d(n-1,n)) contract compared
                      with the unrelaxed spacing, while the nth interlayer spacing
                      (d(n,n+1)) expands. The next (n - 2) interlayer spacings
                      (d(n+1,n+2),..., d(2n-2,2n-1)) contract, while the
                      interlayer spacing indicated by d(2n-1,2n) expands. A
                      similar rule was found for the relaxations parallel to the
                      surfaces. These trends provide a better understanding of the
                      atomic structure of vicinal Cu surfaces. (c) 2006 Elsevier
                      B.V. All rights reserved.},
      keywords     = {J (WoSType)},
      cin          = {IFF-TH-III / IFF-TH-I / JARA-FIT / JARA-SIM},
      ddc          = {540},
      cid          = {I:(DE-Juel1)VDB32 / I:(DE-Juel1)VDB30 /
                      $I:(DE-82)080009_20140620$ / I:(DE-Juel1)VDB1045},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK414},
      shelfmark    = {Chemistry, Physical / Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000239649100011},
      doi          = {10.1016/j.susc.2006.05.019},
      url          = {https://juser.fz-juelich.de/record/52410},
}