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@ARTICLE{Hedstrm:54039,
      author       = {Hedström, M. and Schindlmayr, A. and Schwarz, G. and
                      Scheffler, M.},
      title        = {{Q}uasiparticle {C}orrections to the {E}lectronic
                      {P}roperties of {A}nion {V}acancies at {G}a{A}s(110) and
                      {I}n{P}(110)},
      journal      = {Physical review letters},
      volume       = {97},
      issn         = {0031-9007},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-54039},
      pages        = {226401},
      year         = {2006},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {We propose a new method for calculating optical defect
                      levels and thermodynamic charge-transition levels of point
                      defects in semiconductors, which includes quasiparticle
                      corrections to the Kohn-Sham eigenvalues of
                      density-functional theory. Its applicability is demonstrated
                      for anion vacancies at the (110) surfaces of III-V
                      semiconductors. We find the (+/0) charge-transition level to
                      be 0.49 eV above the surface valence-band maximum for
                      GaAs(110) and 0.82 eV for InP(110). The results show a clear
                      improvement over the local-density approximation and agree
                      closely with an experimental analysis.},
      keywords     = {J (WoSType)},
      cin          = {IFF-TH-I},
      ddc          = {550},
      cid          = {I:(DE-Juel1)VDB30},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Physics, Multidisciplinary},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000242538700040},
      doi          = {10.1103/PhysRevLett.97.226401},
      url          = {https://juser.fz-juelich.de/record/54039},
}