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@ARTICLE{Caciuc:57123,
      author       = {Caciuc, V. and Hölscher, H. and Blügel, S. and Fuchs, H.},
      title        = {{F}irst-principles study of the atomic-scale structure of
                      clean silicon tips in dynamic force microscopy},
      journal      = {Physical review / B},
      volume       = {74},
      number       = {16},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-57123},
      pages        = {165318},
      year         = {2006},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {In the present work we report on our ab initio
                      pseudopotential calculations based on density functional
                      theory to investigate the atomic-scale behavior of clean
                      silicon tips in noncontact atomic force microscopy (AFM).
                      The AFM tip structures are modeled by silicon clusters with
                      [111] and [001] termination. The structural changes induced
                      by their reciprocal interaction are investigated by
                      calculating the short-range chemical forces during a
                      vertical approach and retraction of one silicon tip on top
                      of another tip. For a specific tip geometry with [111]
                      termination, the theoretical force curves exhibit an
                      hysteretic behavior only at the first approach and
                      retraction cycle. The absence of this effect at the second
                      scan is due to sharpening of the initially blunt tip via
                      short-range chemical forces. A specific finger print of the
                      [001]-oriented tip is an energy dissipation induced by a
                      breaking and formation process of a chemical bond between
                      two silicon atoms under its apex atom.},
      keywords     = {J (WoSType)},
      cin          = {IFF-TH-I / JARA-FIT / JARA-SIM},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB30 / $I:(DE-82)080009_20140620$ /
                      I:(DE-Juel1)VDB1045},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK414},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000241723700070},
      doi          = {10.1103/PhysRevB.74.165318},
      url          = {https://juser.fz-juelich.de/record/57123},
}