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@ARTICLE{Mller:57300,
      author       = {Müller, J. E. and Ibach, H.},
      title        = {{M}igration of point defects at charged {C}u, {A}g, and
                      {A}u (100) surfaces},
      journal      = {Physical review / B},
      volume       = {74},
      number       = {8},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-57300},
      pages        = {085408},
      year         = {2006},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {We report ab initio values for the electrical dipole moment
                      and for the formation and activation energies of adatoms and
                      vacancies migrating on Cu, Ag, and Au (100) surfaces, and we
                      discuss the effect of the electrical dipole energy of these
                      point defects on the rate of mass transport along charged
                      metal-electrolyte interfaces. We find that adatoms and
                      vacancies exhibit positive surface dipole moments, which for
                      positive electrode potentials tend to reduce the formation
                      and activation energies and increase the mobility of the
                      point defects. We also consider atom migration by an
                      exchange process involving the intermediate formation of
                      dimers, and find that the surface dipole moment of the Cu
                      and Ag dimers is negative, which means that they tend to
                      become more mobile for negative potentials. However, because
                      of their large activation energies, we conclude that the
                      exchange process is not likely to provide an energetically
                      favorable mechanism for migration in these systems. The Au
                      dimer has a small positive dipole moment, which implies that
                      the exchange process may contribute to surface transport but
                      only in neutral surfaces.},
      keywords     = {J (WoSType)},
      cin          = {ISG-3},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB43},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000240238900080},
      doi          = {10.1103/PhysRevB.74.085408},
      url          = {https://juser.fz-juelich.de/record/57300},
}