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@ARTICLE{Gourdon:171710,
      author       = {Gourdon, Olivier and Gottschlich, Michael and Persson,
                      Joerg and Cruz, Clarina de la and Petricek, Vaclav and
                      McGuire, Michael A. and Brückel, Thomas},
      title        = {{T}oward a better understanding of the magnetocaloric
                      effect: {A}n experimental and theoretical study of
                      {M}n{F}e4{S}i3},
      journal      = {Journal of solid state chemistry},
      volume       = {216},
      issn         = {0022-4596},
      address      = {Orlando, Fla.},
      publisher    = {Academic Press},
      reportid     = {FZJ-2014-05279},
      pages        = {56 - 64},
      year         = {2014},
      abstract     = {The intermetallic compound MnFe4Si3 has been studied by
                      high-resolution Time of Flight (TOF) neutron powder
                      diffraction. MnFe4Si3 crystallizes in the hexagonal space
                      group P63/mcm with lattice constants of a=b=6.8043(4) Å and
                      c=4.7254(2) Å at 310 K. Magnetic susceptibility
                      measurements show clearly the magnetic transition from
                      paramagnetism to ferromagnetism at about 302(2) K. Magnetic
                      structure refinements based on neutron powder diffraction
                      data with and without external magnetic field reveal strong
                      evidence on the origin of the large magnetocaloric effect
                      (MCE) in this material as a partial reordering of the spins
                      between ~270 K and 300 K. In addition, electronic structure
                      calculations using the self-consistent, spin-polarized Tight
                      Binding-Linear MuffinTin Orbital (TB-LMTO) method were also
                      accomplished to address the “coloring problem” (Mn/Fe
                      site preference) as well as the unique ferromagnetic
                      behavior of this intermetallic compound.},
      cin          = {JCNS-2 / PGI-4 / JARA-FIT},
      ddc          = {540},
      cid          = {I:(DE-Juel1)JCNS-2-20110106 / I:(DE-Juel1)PGI-4-20110106 /
                      $I:(DE-82)080009_20140620$},
      pnm          = {422 - Spin-based and quantum information (POF2-422) / 424 -
                      Exploratory materials and phenomena (POF2-424) / 542 -
                      Neutrons (POF2-542) / 544 - In-house Research with PNI
                      (POF2-544) / 54G - JCNS (POF2-54G24)},
      pid          = {G:(DE-HGF)POF2-422 / G:(DE-HGF)POF2-424 /
                      G:(DE-HGF)POF2-542 / G:(DE-HGF)POF2-544 /
                      G:(DE-HGF)POF2-54G24},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000338177100009},
      doi          = {10.1016/j.jssc.2014.05.001},
      url          = {https://juser.fz-juelich.de/record/171710},
}