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@ARTICLE{DeRaychaudhury:58286,
      author       = {De Raychaudhury, M. and Pavarini, E. and Andersen, O. K.},
      title        = {{O}rbital fluctuations in the different phases of {L}a{VO}3
                      and {YVO}3},
      journal      = {Physical review letters},
      volume       = {99},
      issn         = {0031-9007},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-58286},
      pages        = {126402},
      year         = {2007},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {We investigate the importance of quantum orbital
                      fluctuations in the orthorhombic and monoclinic phases of
                      the Mott insulators LaVO3 and YVO3. First, we construct ab
                      initio material-specific t(2g) Hubbard models. Then, by
                      using dynamical mean-field theory, we calculate the spectral
                      matrix as a function of temperature. Our Hubbard bands and
                      Mott gaps are in very good agreement with spectroscopy. We
                      show that in orthorhombic LaVO3, quantum orbital
                      fluctuations are strong and that they are suppressed only in
                      the monoclinic 140 K phase. In YVO3 the suppression happens
                      already at 300 K. We show that Jahn-Teller and GdFeO3-type
                      distortions are both crucial in determining the type of
                      orbital and magnetic order in the low temperature phases.},
      keywords     = {J (WoSType)},
      cin          = {IFF-1},
      ddc          = {550},
      cid          = {I:(DE-Juel1)VDB781},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK414},
      shelfmark    = {Physics, Multidisciplinary},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000249668000052},
      doi          = {10.1103/PhysRevLett.99.126402},
      url          = {https://juser.fz-juelich.de/record/58286},
}