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@ARTICLE{Mnig:46652,
      author       = {Mönig, H. and Sun, J. and Koroteev, S. B. and Bihlmayer,
                      G. and Wells, J. and Chulkov, E. V. and Pohl, K. and
                      Hofmann, Ph.},
      title        = {{S}tructure of the (111) surface of bismuth: {LEED}
                      analysis and first-principles calculations},
      journal      = {Physical review / B},
      volume       = {72},
      number       = {8},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-46652},
      pages        = {085410},
      year         = {2005},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {The surface structure of Bi(111) was investigated by
                      low-energy electron diffraction (LEED) intensity analysis
                      for temperatures between 140 and 313 K and by
                      first-principles calculations. The diffraction pattern
                      reveals a (1x1) surface structure and LEED intensity versus
                      energy simulations confirm that the crystal is terminated
                      with a Bi bilayer. Excellent agreement is obtained between
                      the calculated and measured diffraction intensities in the
                      whole temperature range. The first interlayer spacing shows
                      no significant relaxation at any temperature while the
                      second interlayer spacing expands slightly. The Debye
                      temperatures deduced from the optimized atomic vibrational
                      amplitudes for the two topmost layers are found to be
                      significantly lower than in the bulk. The experimental
                      results for the relaxations agree well with those of our
                      first-principles calculation.},
      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:000231564600137},
      doi          = {10.1103/PhysRevB.72.085410},
      url          = {https://juser.fz-juelich.de/record/46652},
}