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@ARTICLE{Kiani:861462,
      author       = {Kiani, Amin and Pavarini, Eva},
      title        = {{E}lectronic correlation and magnetic frustration in {L}i 2
                      {VOS}i{O} 4 and {VOM}o{O} 4},
      journal      = {Physical review / B},
      volume       = {94},
      number       = {7},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2019-01927},
      pages        = {075112},
      year         = {2016},
      abstract     = {Li2VOSiO4 and VOMoO4 have been proposed as realizations of
                      the frustrated two-dimensional J1−J2 quantum Heisenberg
                      model. In this work, in order to test this picture, we study
                      their electronic and magnetic properties by using the
                      local-density approximation + dynamical mean-field theory
                      method. We calculate the magnetic linear response function
                      starting from material-specific Hubbard models and
                      systematically map our results onto those from generalized
                      quantum Heisenberg models. We obtain the effective local
                      magnetic moments and the associated magnetic exchange
                      couplings, in particular the ratio J2/J1, a measure of the
                      frustration degree, and the ratio 2J⊥/(J1+J2), measuring
                      the three-dimensionality degree. Our results support a weak
                      frustration picture for both materials, with small but
                      non-negligible long-range interplane couplings, leading to
                      three-dimensional order at low temperature. Implications for
                      the physics of the two systems are discussed.},
      cin          = {IAS-3 / JARA-HPC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-3-20090406 / $I:(DE-82)080012_20140620$},
      pnm          = {144 - Controlling Collective States (POF3-144) /
                      Spin-orbital order-disorder transitions in strongly
                      correlated systems $(jiff46_20161101)$ / Multiplet effects
                      in strongly correlated materials $(jiff41_20091101)$ /
                      Multiplet effects in strongly correlated materials
                      $(jara0050_20130501)$},
      pid          = {G:(DE-HGF)POF3-144 / $G:(DE-Juel1)jiff46_20161101$ /
                      $G:(DE-Juel1)jiff41_20091101$ /
                      $G:(DE-Juel1)jara0050_20130501$},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000381307000002},
      doi          = {10.1103/PhysRevB.94.075112},
      url          = {https://juser.fz-juelich.de/record/861462},
}