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@ARTICLE{Postnikov:48012,
      author       = {Postnikov, A. V. and Galakhov, A. V. and Blügel, S.},
      title        = {{M}agnetic interactions in a {C}u-containing heterospin
                      polymer},
      journal      = {Phase transitions},
      volume       = {78},
      issn         = {0141-1594},
      address      = {London [u.a.]},
      publisher    = {Taylor $\&$ Francis},
      reportid     = {PreJuSER-48012},
      pages        = {689},
      year         = {2005},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {The electronic structure of Cu hexafluoroacetylacetonate,
                      crystallized with a stable nitronyl nitroxide radical [V.I.
                      Ovcharenko, K.Y. Maryunina, S.V. Fokin, et al., Russ. Chem.
                      Bull. 53 2406 (2004)], is calculated from first principles
                      within the density functional theory using the SIESTA
                      method, in two magnetic configurations reflecting parallel
                      or antiparallel settings of the S = 1/2 spins of Cu(II) ions
                      to those of the organic radicals. For a given
                      (high-temperature) crystal structure, the interaction is
                      found to be predominantly antiferromagnetic, and its
                      magnitude is estimated to be 67 cm(-1). This preference is
                      discussed in terms of the calculated electronic properties
                      (densities of states, molecular orbitals).},
      keywords     = {J (WoSType)},
      cin          = {IFF-TH-I},
      ddc          = {540},
      cid          = {I:(DE-Juel1)VDB30},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK242},
      shelfmark    = {Crystallography / Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000233909200004},
      doi          = {10.1080/01411590500288692},
      url          = {https://juser.fz-juelich.de/record/48012},
}