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@ARTICLE{Gottschlich:22551,
      author       = {Gottschlich, M. and Gourdon, O. and Perßon, J. and da la
                      Cruz, C. and Petricek, V. and Brückel, T.},
      title        = {{S}tudy of the antiferromagnetism of {M}n5{S}i3: an inverse
                      magnetocaloric effect material},
      journal      = {Journal of materials chemistry},
      volume       = {22},
      issn         = {0959-9428},
      address      = {London},
      publisher    = {ChemSoc},
      reportid     = {PreJuSER-22551},
      pages        = {15275 - 15284},
      year         = {2012},
      note         = {The authors are grateful to Dr Ashfia Huq, Dr Jason Hodges,
                      Luke Heroux and Mickael A. McGuire for their various
                      constructive comments on the neutron experiments and the
                      physical measurements. This research at Oak Ridge National
                      Laboratory's High Flux Isotope Reactor and Spallation
                      Neutron Source was sponsored by the Scientific User
                      Facilities Division, Office of Basic Energy Sciences, U.S.
                      Department of Energy. Development of the program Jana2006
                      was supported by Praemium Academiae of Czech Academy of
                      Sciences.},
      abstract     = {The intermetallic compound Mn5Si3 has been studied by
                      high-resolution Time-of-Flight (TOF) neutron powder
                      diffraction. At room temperature, Mn5Si3 is paramagnetic and
                      it crystallizes in the P6(3)/mcm hexagonal space group.
                      Magnetic susceptibility and specific heat measurements show
                      clearly two major anomalies. At 100(1) K, a transition
                      (Tm-1) corresponds to a collinear antiferromagnetic ordering
                      (AF1). The second transition at 62(1) K (Tm-2), which was
                      still unclear, highlights a magneto-structural distortion
                      from an orthorhombic symmetry (AF1) to a monoclinic symmetry
                      (AF2), which could be influenced by a low magnetic field.
                      Such a magneto-structural change is directly associated with
                      the inverse magnetocaloric effect behaviour of this
                      material. A new description by means of the commensurate
                      magnetic superspace groups, Ccmm1'(0 beta 0)00ss and
                      C2(1)/m1'(alpha beta 0)0ss, has been used to refine properly
                      the low temperature antiferromagnetic structures. Band
                      structure calculations using the self-consistent,
                      spin-polarized TB-LMTO method were accomplished to support
                      the magnetic properties observed at low temperature.},
      keywords     = {J (WoSType)},
      cin          = {PGI-4 / JCNS-2 / JARA-FIT / JCNS-1 / ICS-1},
      ddc          = {540},
      cid          = {I:(DE-Juel1)PGI-4-20110106 / I:(DE-Juel1)JCNS-2-20110106 /
                      $I:(DE-82)080009_20140620$ / I:(DE-Juel1)JCNS-1-20110106 /
                      I:(DE-Juel1)ICS-1-20110106},
      pnm          = {Grundlagen für zukünftige Informationstechnologien
                      (FUEK412) / 544 - In-house Research with PNI (POF2-544)},
      pid          = {G:(DE-Juel1)FUEK412 / G:(DE-HGF)POF2-544},
      shelfmark    = {Chemistry, Physical / Materials Science, Multidisciplinary},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000306215900066},
      doi          = {10.1039/c2jm00154c},
      url          = {https://juser.fz-juelich.de/record/22551},
}