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@ARTICLE{Sandratskii:15214,
      author       = {Sandratskii, L.M. and Mavropoulos, Ph.},
      title        = {{M}agnetic excitations and femtomagnetism of {F}e{R}h: {A}
                      first-principles study},
      journal      = {Physical review / B},
      volume       = {83},
      number       = {17},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-15214},
      pages        = {174408},
      year         = {2011},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {The paper is partly motivated by recent pump-probe
                      experiments with ultrashort laser pulses on
                      antiferromagnetic FeRh that have shown the generation of
                      magnetization within a subpicosecond time scale. On the
                      other hand, the physical mechanism of the thermal
                      antiferromagnetic-ferromagnetic (AFM-FM) phase transition in
                      FeRh, known for many decades, remains a topic of
                      controversial discussions. The selection of the magnetic
                      degrees of freedom as well as the treatment of the magnetic
                      excited states differ strongly in recent models by different
                      authors. We report a density functional theory (DFT)
                      investigation of FeRh. For the study of excited states, DFT
                      calculations with constraints imposed on the directions and
                      values of the atomic moments are employed. We show that the
                      formation of the Rh moment as a consequence of the AFM-FM
                      phase transition cannot be described within the Stoner
                      picture. Instead, an implicit spin splitting of the Rh
                      states takes place in the AFM phase, resulting in the
                      intra-atomic spin polarization of the Rh atoms. This
                      property is a consequence of the strong hybridization
                      between Rh and Fe states. The Fe-Rh hybridization is an
                      important factor in the physics of FeRh. We demonstrate that
                      the ferromagnetic Fe-Rh exchange interaction is robust with
                      respect to the crystal volume variation, whereas the
                      antiferromagnetic Fe-Fe exchange interaction is strongly
                      volume dependent. These different volume dependencies of the
                      competing exchange interactions lead to their strong
                      compensation at certain crystal volume. We perform Monte
                      Carlo simulations and show that the calculated
                      thermodynamics depends on the way the magnetic degrees of
                      freedom are selected. We argue that the excited states
                      resulting from the variation of the value of the Rh moment
                      treated as degree of freedom are important for both the
                      equilibrium thermodynamics of FeRh and the femtomagnetic
                      phenomena in this system. We also study the spin mixing
                      caused by spin-orbit coupling. The obtained value of the
                      Elliott-Yafet spin-mixing parameter is comparable with
                      earlier calculations for the ferromagnetic 3d metals. We
                      draw the conclusion that the Elliott-Yafet mechanism of the
                      angular-momentum transfer between electrons and lattice
                      plays an important role in the femtomagnetic properties of
                      FeRh.},
      keywords     = {J (WoSType)},
      cin          = {IAS-1 / PGI-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000290162000002},
      doi          = {10.1103/PhysRevB.83.174408},
      url          = {https://juser.fz-juelich.de/record/15214},
}