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@ARTICLE{Yu:57546,
      author       = {Yu, D. K. and Bonzel, D. I. and Scheffler, M.},
      title        = {{T}he stability of vicinal surfaces and the equilibrium
                      crystal shape of {P}b by first principles theory},
      journal      = {New journal of physics},
      volume       = {8},
      issn         = {1367-2630},
      address      = {[Bad Honnef]},
      publisher    = {Dt. Physikalische Ges.},
      reportid     = {PreJuSER-57546},
      pages        = {65},
      year         = {2006},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {The orientation-dependent surface energies of fcc Pb for
                      more than 30 vicinal orientations, distributed over the
                      [110] and [001] zones of the stereographic triangle, have
                      been studied by density-functional theory. For
                      bulk-truncated structures almost all vicinal surfaces are
                      found to be unstable and would facet into (111) and (100)
                      orientations. However, after surface relaxation, all vicinal
                      surfaces are stable relative to faceting into (111) and
                      (100) orientations. There are also regions of relaxed
                      vicinal surfaces which will facet into nearby stable vicinal
                      surfaces. Overall, surface relaxation significantly affects
                      the equilibrium crystal shape (ECS) of Pb. In both the [110]
                      and [001] crystallographic zones the (110), (112), (221),
                      and (023) facets are found on the ECS only after relaxation,
                      in addition to (111) and (100). This result is in agreement
                      with the experimental ECS of Pb at 353 K. Step formation
                      energies for various vicinal orientations are estimated from
                      facet diameters of the theoretical ECS and compared with
                      experimental data.},
      keywords     = {J (WoSType)},
      cin          = {ISG-3},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB43},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK414},
      shelfmark    = {Physics, Multidisciplinary},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000237293800004},
      doi          = {10.1088/1367-2630/8/5/065},
      url          = {https://juser.fz-juelich.de/record/57546},
}