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@ARTICLE{Ishida:57446,
      author       = {Ishida, H. and Wortmann, D. and Liebsch, A.},
      title        = {{E}lectronic structure of {S}r{VO}3(001) surfaces: a
                      local-density approximation plus dynamical mean-field theory
                      calculation},
      journal      = {Physical review / B},
      volume       = {73},
      number       = {24},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-57446},
      pages        = {245421},
      year         = {2006},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {The influence of local Coulomb correlations on the surface
                      electronic structure of SrVO3, a strongly-correlated metal
                      in a perovskite structure, is investigated for both the
                      SrO-layer and VO2-layer-terminated (001) surfaces. The
                      electronic structure within the local density approximation
                      of a semi-infinite surface is determined using the embedded
                      Green-function approach, and the resultant density of states
                      projected on the V t2g orbitals is used as an input to a
                      subsequent many-body calculation within the dynamical mean
                      field theory (DMFT) and the multiorbital quantum Monte Carlo
                      technique. Qualitatively, the present study confirms the
                      conclusion of recent photoemission experiments and
                      tight-binding DMFT calculations which both indicate that the
                      electronic structure at the surface is more strongly
                      correlated than in the bulk. On a quantitative level
                      significant differences are obtained as a function of
                      orbital polarization at the surface, surface layer
                      relaxation, and SrO vs VO2 surface termination.},
      keywords     = {J (WoSType)},
      cin          = {IFF-TH-I},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB30},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK414},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000238696900119},
      doi          = {10.1103/PhysRevB.73.245421},
      url          = {https://juser.fz-juelich.de/record/57446},
}