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@ARTICLE{vanWell:188375,
      author       = {van Well, Natalija and Foyevtsova, Kateryna and
                      Gottlieb-Schoenmeyer, Saskia and Ritter, Franz and Manna,
                      Rudra Sekhar and Wolf, Bernd and Meven, Martin and
                      Pfleiderer, Christian and Lang, Michael and Assmus, Wolf and
                      Valenti, Roser and Krellner, Cornelius},
      title        = {{L}ow-temperature structural investigations of the
                      frustrated quantum antiferromagnets
                      {C}s2{C}u{C}l(4-x){B}r(x)},
      reportid     = {FZJ-2015-01773},
      year         = {2014},
      abstract     = {Powder X-ray diffraction (PXRD) and single-crystal neutron
                      scattering were used to study in detail the structural
                      properties of the Cs2CuCl(4-x)Br(x) series, good
                      realizations of layered triangular antiferromagnets.
                      Detailed temperature-dependent PXRD reveal a pronounced
                      anisotropy of the thermal expansion for the three different
                      crystal directions of the orthorhombic structure without any
                      structural phase transition down to 20 K. Remarkably, the
                      anisotropy of the thermal expansion varies for different
                      $x$, leading to distinct changes of the geometry of the
                      local Cu environment as a function of temperature and
                      composition. The refinement of the atomic positions confirms
                      that for x=1 and 2, the Br atoms occupy distinct halogen
                      sites in the [CuX4]-tetrahedra (X = Cl, Br). The precise
                      structure data are used to calculate the magnetic exchange
                      couplings using density functional methods for x=0. We
                      observe a pronounced temperature dependence of the
                      calculated magnetic exchange couplings, reflected in the
                      strong sensitivity of the magnetic exchange couplings on
                      structural details. These calculations are in good agreement
                      with the experimentally established values for Cs2CuCl4 if
                      one takes the low-temperature structure data as a starting
                      point.},
      cin          = {JCNS (München) ; Jülich Centre for Neutron Science JCNS
                      (München) ; JCNS-FRM-II / JCNS-2},
      cid          = {I:(DE-Juel1)JCNS-FRM-II-20110218 /
                      I:(DE-Juel1)JCNS-2-20110106},
      pnm          = {54G - JCNS (POF2-54G24)},
      pid          = {G:(DE-HGF)POF2-54G24},
      experiment   = {EXP:(DE-MLZ)HEIDI-20140101 / EXP:(DE-MLZ)External-20140101},
      typ          = {PUB:(DE-HGF)25},
      eprint       = {1410.6896},
      howpublished = {arXiv:1410.6896},
      archivePrefix = {arXiv},
      SLACcitation = {$\%\%CITATION$ = $arXiv:1410.6896;\%\%$},
      url          = {https://juser.fz-juelich.de/record/188375},
}