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@ARTICLE{Gao:59374,
      author       = {Gao, G. Y. and Yao, K. L. and Sasioglu, E. and Sandratskii,
                      L. M. and Liu, Z. L. and Jiang, J. L.},
      title        = {{H}alf-metallic ferromagnetism in zinc-blende {C}a{C},
                      {S}r{C}, and {B}a{C} from first principles},
      journal      = {Physical review / B},
      volume       = {75},
      number       = {17},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-59374},
      pages        = {174442},
      year         = {2007},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {Using the first-principles full-potential linearized
                      augmented plane-wave method based on density functional
                      theory, we have investigated the electronic structure and
                      magnetism of hypothetical MC (M=Mg, Ca, Sr, and Ba)
                      compounds with the zinc-blende (ZB) crystal structure. It is
                      shown that ZB CaC, SrC, and BaC are half-metallic
                      ferromagnets with large half-metallic gaps (up to 0.83 eV).
                      The half metallicity is found to be robust with respect to
                      the lattice compression and is maintained up to the
                      lattice-constant contraction of $14\%,$ $13\%,$ and $9\%$
                      for CaC, SrC, and BaC, respectively. The exchange
                      interactions in these compounds are studied using the
                      augmented spherical wave method in conjunction with the
                      frozen-magnon approach. The Curie temperature is estimated
                      within both the mean field approximation and the random
                      phase approximation. The predicted Curie temperatures of all
                      three half-metallic compounds considerably exceed the room
                      temperature. The large half-metallic gaps, the robustness of
                      the half metallicity with respect to the lattice
                      contraction, and the high Curie temperatures make these
                      systems interesting candidates for applications in
                      spintronic devices. The absence of the transition-metal
                      atoms makes these compounds important model systems for the
                      study of the origin and properties of the half-metallic
                      ferromagnetism of s-p electron systems.},
      keywords     = {J (WoSType)},
      cin          = {IFF-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB781},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK414},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000246890500108},
      doi          = {10.1103/PhysRevB.75.174442},
      url          = {https://juser.fz-juelich.de/record/59374},
}