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@ARTICLE{Slipukhina:16693,
      author       = {Slipukhina, I. and Mavropoulos, Ph. and Blügel, S. and
                      Lezaic, M.},
      title        = {{F}erromagnetic {S}pin {C}oupling of 2p {I}mpurities in
                      {B}and {I}nsulators {S}tabilized by an {I}ntersite {C}oulomb
                      {I}nteraction: {N}itrogen-{D}oped {M}g{O}},
      journal      = {Physical review letters},
      volume       = {107},
      issn         = {0031-9007},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-16693},
      pages        = {137203},
      year         = {2011},
      note         = {We appreciate valuable discussions with K. Rushchanskii and
                      A. Liebsch, and the support of the Julich Supercomputing
                      Centre. I. S. and M. L. gratefully acknowledge the support
                      of the Young Investigators Group Program of the Helmholtz
                      Association, Contract No. VH-NG-409.},
      abstract     = {For a nitrogen dimer in insulating MgO, a ferromagnetic
                      coupling between spin-polarized 2p holes is revealed by
                      calculations based on the density functional theory amended
                      by an on-site Coulomb interaction and corroborated by the
                      Hubbard model. It is shown that the ferromagnetic coupling
                      is facilitated by a T-shaped orbital arrangement of the 2p
                      holes, which is in its turn controlled by an intersite
                      Coulomb interaction due to the directionality of the p
                      orbitals. We thus conjecture that this interaction is an
                      important ingredient of ferromagnetism in band insulators
                      with 2p dopants.},
      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:000295083100018},
      doi          = {10.1103/PhysRevLett.107.137203},
      url          = {https://juser.fz-juelich.de/record/16693},
}