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@ARTICLE{Dek:154000,
      author       = {Deák, A. and Simon, E. and Balogh, L. and Szunyogh, L. and
                      dos Santos Dias, M. and Staunton, J. B.},
      title        = {{M}etallic magnetism at finite temperatures studied by
                      relativistic disordered moment description: {T}heory and
                      applications},
      journal      = {Physical review / B},
      volume       = {89},
      number       = {22},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {FZJ-2014-03429},
      pages        = {224401},
      year         = {2014},
      abstract     = {We develop a self-consistent relativistic disordered local
                      moment (RDLM) scheme aimed at describing finite-temperature
                      magnetism of itinerant metals from first principles. Our
                      implementation in terms of the Korringa-Kohn-Rostoker
                      multiple-scattering theory and the coherent potential
                      approximation allows us to relate the orientational
                      distribution of the spins to the electronic structure, thus
                      a self-consistent treatment of the distribution is possible.
                      We present applications for bulk bcc Fe, L10-FePt, and FeRh
                      ordered in the CsCl structure. The calculations for Fe show
                      significant variation of the local moments with temperature,
                      whereas according to the mean-field treatment of the spin
                      fluctuations the Curie temperature is overestimated. The
                      magnetic anisotropy of FePt alloys is found to depend
                      strongly on intermixing between nominally Fe and Pt layers,
                      and it shows a power-law behavior as a function of
                      magnetization for a broad range of chemical disorder. In the
                      case of FeRh we construct a lattice constant vs temperature
                      phase diagram and determine the phase line of metamagnetic
                      transitions based on self-consistent RDLM free-energy
                      curves.},
      cin          = {PGI-1 / IAS-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-1-20110106 / I:(DE-Juel1)IAS-1-20090406},
      pnm          = {422 - Spin-based and quantum information (POF2-422)},
      pid          = {G:(DE-HGF)POF2-422},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000337274400003},
      doi          = {10.1103/PhysRevB.89.224401},
      url          = {https://juser.fz-juelich.de/record/154000},
}