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@ARTICLE{Hauschild:9376,
      author       = {Hauschild, A. and Temirov, R. and Soubatch, S. and Bauer,
                      O. and Schöll, A. and Cowie, B.C.C. and Lee, T.-L. and
                      Tautz, F. S. and Sokolowski, M.},
      title        = {{N}ormal-incidence x-ray standing-wave determination of the
                      adsorption geometry of {PTCDA} on {A}g(111): {C}omparison of
                      the ordered room-temperature and disordered low-temperature
                      phases},
      journal      = {Physical review / B},
      volume       = {81},
      number       = {12},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-9376},
      pages        = {125432},
      year         = {2010},
      note         = {We thank A. Gerlach, C. Kumpf, F. Schreiber, C. Stadler, C.
                      Schalley, E. Umbach, and W. Moritz for helpful discussions
                      and experimental support, J. Zegenhagen for providing the
                      program DARE. Support by the ESRF and the DFG under the
                      Projects No. SFB 624, No. SO-407, and No. TA-244 is
                      acknowledged.},
      abstract     = {Normal incidence x-ray standing wave (NIXSW) experiments
                      have been performed for monolayers of
                      3,4,9,10-perylene-tetracarboxylic-dianhydride (PTCDA)
                      adsorbed on the Ag(111) surface. Two phases were analyzed:
                      the low-temperature phase (LT phase), which is disordered
                      and obtained for deposition at substrate temperatures below
                      150 K, and the ordered phase, which is obtained for
                      deposition at room temperature (RT phase). From the NIXSW
                      analysis the vertical bonding distances to the Ag surface
                      were obtained for the averaged carbon atoms and the two
                      types of chemically different oxygen atoms in the terminal
                      anhydride groups. For the LT phase, we find about $2\%$
                      (0.05 A degrees) and $8\%$ (0.21 A degrees) smaller averaged
                      bonding distances for the C and O atoms, respectively,
                      compared to the RT phase. In both phases, the planar
                      geometry of the free molecule is distorted; in particular,
                      the carboxylic O atoms are closer to the surface by 0.20 A
                      degrees (RT) and 0.31 A degrees (LT) with respect to the
                      averaged C distance. The difference between the vertical
                      bonding distances of the carboxylic and anhydride O atoms is
                      found to be 0.32 (RT) and 0.33 A degrees (LT). These
                      structural parameters of the two phases are compared to
                      those of PTCDA monolayers adsorbed on Au(111) and Cu(111)
                      surfaces and are discussed in the frame of current bonding
                      models.},
      keywords     = {J (WoSType)},
      cin          = {IBN-3 / JARA-FIT},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB801 / $I:(DE-82)080009_20140620$},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000276248900149},
      doi          = {10.1103/PhysRevB.81.125432},
      url          = {https://juser.fz-juelich.de/record/9376},
}