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@ARTICLE{Lezaic:45657,
      author       = {Lezaic, M. and Galanakis, I. and Bihlmayer, G. and Blügel,
                      S.},
      title        = {{S}tructural and magnetic properties of the (001) and (111)
                      surfaces of the half-metal {N}i{M}n{S}b},
      journal      = {Journal of physics / Condensed matter},
      volume       = {17},
      issn         = {0953-8984},
      address      = {Bristol},
      publisher    = {IOP Publ.},
      reportid     = {PreJuSER-45657},
      pages        = {3121 - 3136},
      year         = {2005},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {Using the full potential linearized augmented plane-wave
                      method we study the electronic and magnetic properties of
                      the (001) and (111) surfaces of the half-metallic Heusler
                      alloy NiMnSb from first principles. We take into account all
                      possible surface terminations including relaxations of these
                      surfaces. Special attention is paid to the spin polarization
                      at-the Fermi level which governs the spin injection from
                      such a metal into a semiconductor. In general, these
                      surfaces lose the half-metallic character of the bulk
                      NiMnSb, but for the (111) surfaces this loss is more
                      pronounced. Although structural optimization does not change
                      these features qualitatively, specifically for the (111)
                      surfaces relaxations can compensate much of the spin
                      polarization at the Fermi surface that has been lost upon
                      formation of the surface.},
      keywords     = {J (WoSType)},
      cin          = {CNI / IFF-TH-I},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB381 / I:(DE-Juel1)VDB30},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK242},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000230247000011},
      doi          = {10.1088/0953-8984/17/21/008},
      url          = {https://juser.fz-juelich.de/record/45657},
}