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@ARTICLE{Zhang:835946,
      author       = {Zhang, Guoren and Pavarini, Eva},
      title        = {{M}ott transition, spin-orbit effects, and magnetism in
                      {C}a$_{2}$ {R}u{O}$_{4}$},
      journal      = {Physical review / B},
      volume       = {95},
      number       = {7},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2017-05078},
      pages        = {075145},
      year         = {2017},
      abstract     = {In this work, we study the effects of spin-orbit and
                      Coulomb anisotropy on the electronic and magnetic properties
                      of the Mott insulator Ca$_{2}$ RuO$_{4}$. We use the
                      local-density approximation + dynamical mean-field approach
                      and spin-wave theory. We show that, contrary to a recent
                      proposal, the Mott metal-insulator transition is not induced
                      by the spin-orbit interaction. We confirm that, instead, it
                      is mainly driven by the change in structure from long to
                      short c-axis layered perovskite. We show that the magnetic
                      ordering and the anisotropic Coulomb interactions play a
                      small role in determining the the size of the gap. The
                      spin-orbit interaction turns out to be essential for
                      describing the magnetic properties. It not only results in a
                      spin-wave gap, but it also enlarges significantly the magnon
                      bandwidth.},
      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:000394659700005},
      doi          = {10.1103/PhysRevB.95.075145},
      url          = {https://juser.fz-juelich.de/record/835946},
}