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@ARTICLE{Staunton:153871,
      author       = {Staunton, J. B. and Banerjee, R. and dos Santos Dias,
                      Manuel and Deak, A. and Szunyogh, L.},
      title        = {{F}luctuating local moments, itinerant electrons, and the
                      magnetocaloric effect: {C}ompositional hypersensitivity of
                      {F}e{R}h},
      journal      = {Physical review / B},
      volume       = {89},
      number       = {5},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {FZJ-2014-03350},
      pages        = {054427},
      year         = {2014},
      abstract     = {We describe an ab initio disordered local moment theory for
                      materials with quenched static compositional disorder
                      traversing first-order magnetic phase transitions. It
                      accounts quantitatively for metamagnetic changes and the
                      magnetocaloric effect. For perfect stoichiometric B2-ordered
                      FeRh, we calculate the transition temperature of the
                      ferromagnetic-antiferromagnetic transition to be Tt= 495 K
                      and a maximum isothermal entropy change in 2 T of |ΔS|=21.1
                      J K−1 kg−1. A large $(40\%)$ component of |ΔS| is
                      electronic. The transition results from a fine balance of
                      competing electronic effects which is disturbed by small
                      compositional changes; e.g., swapping just $2\%$ Fe of
                      “defects” onto the Rh sublattice makes Tt drop by 290 K.
                      This hypersensitivity explains the narrow compositional
                      range of the transition and impurity doping effects.},
      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:000332409800002},
      doi          = {10.1103/PhysRevB.89.054427},
      url          = {https://juser.fz-juelich.de/record/153871},
}