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@ARTICLE{Slipukhina:189162,
      author       = {Slipukhina, Ivetta and Ležaić, M.},
      title        = {{E}lectronic and magnetic properties of the
                      {T}i$_{5}${O}$_{9}$ {M}agnéli phase},
      journal      = {Physical review / B},
      volume       = {90},
      number       = {15},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {FZJ-2015-02362},
      pages        = {155133},
      year         = {2014},
      abstract     = {Structural, electronic, and magnetic properties of Ti5O9
                      have been studied by ab initio methods in low-,
                      intermediate-, and high-temperature phases. We have found
                      the charge and orbital order in all three phases to be
                      nonunique, and the formation of Ti3+−Ti3+ bipolaronic
                      states less likely as compared to Ti4O7. Several
                      quasidegenerate magnetic configurations were calculated to
                      have different width of the band gap, suggesting that the
                      reordering of the unpaired spins at Ti3+ ions might at least
                      partially be responsible for the changes in conductivity of
                      this material.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$},
      pnm          = {421 - Frontiers of charge based Electronics (POF2-421)},
      pid          = {G:(DE-HGF)POF2-421},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000345636400002},
      doi          = {10.1103/PhysRevB.90.155133},
      url          = {https://juser.fz-juelich.de/record/189162},
}