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@ARTICLE{Bauer:826068,
      author       = {Bauer, O. and Schmitz, C. H. and Ikonomov, J. and
                      Willenbockel, M. and Soubatch, S. and Tautz, F. S. and
                      Sokolowski, M.},
      title        = {{A}u enrichment and vertical relaxation of the {C}u$_{3}$
                      {A}u ( 111 ) surface studied by normal-incidence x-ray
                      standing waves},
      journal      = {Physical review / B},
      volume       = {93},
      number       = {23},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2017-00328},
      pages        = {235429},
      year         = {2016},
      abstract     = {We have investigated the Cu3Au(111) surface, prepared under
                      ultrahigh vacuum conditions by sputtering and annealing, by
                      low energy electron diffraction (LEED), scanning tunneling
                      microscopy (STM), x-ray photoelectron spectroscopy, and
                      normal incidence x-ray standing waves (NIXSW). We find the
                      surface to be depleted with Cu and enriched with Au at the
                      same time, yielding a nominal Cu:Au ratio of 0.61:0.39 in
                      the topmost layer. The STM images reveal that the first
                      layer is nearly closely filled with atoms and contains a
                      small amount of vacancies with an area concentration of
                      about $5\%.$ Together with the Au enrichment, these cause
                      local short-range disorder of the Au p(2×2) reconstruction.
                      From this data, the average stoichiometry of the p(2×2)
                      surface unit cell is estimated at Cu2.22Au1.44□0.20
                      (instead of Cu3.00Au1.00□0.00 of the ideal surface; □
                      denotes an atomic vacancy site). From NIXSW we find a
                      significant outward relaxation of both the Cu and Au atoms
                      of the topmost layer by 0.28 Å and 0.33 Å, which
                      corresponds to $13\%$ and $15\%$ of the (111) bulk layer
                      spacing of Cu3Au. We suggest that this originates from a
                      widening of the first/second layer spacing, by $6.8\%$ and
                      $8.8\%$ for the Cu and Au atoms, respectively, plus an
                      additional rigid increase in the second/third layer spacing
                      by $6.2\%.$ We explain this by steric repulsions between Au
                      atoms of the topmost layer, replacing smaller Cu atoms, and
                      Au atoms in the second layer in combination with disorder.
                      Finally, a lateral reconstruction, similar to that on the
                      Au(111) surface, but with a much larger periodicity of 290
                      Å, is identified from LEED.},
      cin          = {PGI-3},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-3-20110106},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142)},
      pid          = {G:(DE-HGF)POF3-142},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000378050600006},
      doi          = {10.1103/PhysRevB.93.235429},
      url          = {https://juser.fz-juelich.de/record/826068},
}