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@ARTICLE{Lounis:12045,
      author       = {Lounis, S. and Dederichs, P. H.},
      title        = {{M}apping the magnetic exchange interactions from first
                      principles: {A}nisotropy anomaly and application to {F}e,
                      {N}i, and {C}o},
      journal      = {Physical review / B},
      volume       = {82},
      number       = {18},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-12045},
      pages        = {180404},
      year         = {2010},
      note         = {We are grateful to J. Kudrnovsky, I. Turek, and S. Blugel
                      for fruitful discussions. S.L. wishes to thank the Alexander
                      von Humboldt Foundation for financial support and D.L. Mills
                      for discussions and hospitality.},
      abstract     = {Mapping the magnetic exchange interactions from model
                      Hamiltonian to density-functional theory is a crucial step
                      in multiscale modeling calculations. Considering the usual
                      magnetic force theorem but with arbitrary rotational angles
                      of the spin moments, a spurious anisotropy in the standard
                      mapping procedure is shown to occur provided by bilinear
                      like contributions of high-order spin interactions. The
                      evaluation of this anisotropy gives a hint on the strength
                      of nonbilinear terms characterizing the system under
                      investigation.},
      keywords     = {J (WoSType)},
      cin          = {IFF-1 / IAS-1 / IFF-3},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB781 / I:(DE-Juel1)IAS-1-20090406 /
                      I:(DE-Juel1)VDB783},
      pnm          = {BioSoft: Makromolekulare Systeme und biologische
                      Informationsverarbeitung},
      pid          = {G:(DE-Juel1)FUEK505},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000284046300002},
      doi          = {10.1103/PhysRevB.82.180404},
      url          = {https://juser.fz-juelich.de/record/12045},
}