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@ARTICLE{Sasioglu:22950,
      author       = {Sasioglu, E. and Friedrich, C. and Blügel, S.},
      title        = {{S}trength of the {E}ffective {C}oulomb {I}nteraction at
                      {M}etal and {I}nsulator {S}urfaces},
      journal      = {Physical review letters},
      volume       = {109},
      issn         = {0031-9007},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-22950},
      pages        = {146401},
      year         = {2012},
      note         = {Fruitful discussions with A. Liebsch, G. Bihlmayer, D.
                      Wortmann, A. Schindlmayr, and A. Lichtenstein are gratefully
                      acknowledged. This work has been supported by the DFG
                      through the Research Unit FOR-1346.},
      abstract     = {The effective on-site Coulomb interaction (Hubbard U)
                      between localized electrons at crystal surfaces is expected
                      to be enhanced due to the reduced coordination number and
                      reduced subsequent screening. By means of first principles
                      calculations employing the constrained random-phase
                      approximation we show that this is indeed the case for
                      simple metals and insulators but not necessarily for
                      transition metals and insulators that exhibit pronounced
                      surface states. In the latter case, the screening
                      contribution from surface states as well as the influence of
                      the band narrowing increases the electron polarization to
                      such an extent as to overcompensate the decrease resulting
                      from the reduced effective screening volume. The Hubbard U
                      parameter is thus substantially reduced in some cases, e.g.,
                      by around $30\%$ for the (100) surface of bcc Cr.},
      keywords     = {J (WoSType)},
      cin          = {IAS-1 / JARA-FIT / JARA-SIM / PGI-1},
      ddc          = {550},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / $I:(DE-82)080009_20140620$ /
                      I:(DE-Juel1)VDB1045 / I:(DE-Juel1)PGI-1-20110106},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Physics, Multidisciplinary},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000309352300005},
      doi          = {10.1103/PhysRevLett.109.146401},
      url          = {https://juser.fz-juelich.de/record/22950},
}