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@ARTICLE{Subedi:302079,
      author       = {Subedi, Alaska and Peil, Oleg E. and Georges, Antoine},
      title        = {{L}ow-energy description of the metal-insulator transition
                      in the rare-earth nickelates},
      journal      = {Physical review / B},
      volume       = {91},
      number       = {7},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PUBDB-2016-03122},
      pages        = {075128},
      year         = {2015},
      abstract     = {We propose a simple theoretical description of the
                      metal-insulator transition of rare-earth nickelates.
                      Thetheory involves only two orbitals per nickel site,
                      corresponding to the low-energy antibonding $e_g$ states. In
                      themonoclinic insulating state, bond-length
                      disproportionation splits the manifold of $e_g$ bands,
                      corresponding to a modulation of the effective on-site
                      energy. We show that, when subject to a local Coulomb
                      repulsion $U$ and Hund’s coupling $J$, the resulting
                      bond-disproportionated state is a paramagnetic insulator for
                      a wide range of interaction parameters. Furthermore, we find
                      that when $U − 3 J$ is small or negative, a spontaneous
                      instability to bond disproportionation takes place for large
                      enough $J$. This minimal theory emphasizes that a small or
                      negativecharge-transfer energy, a large Hund’s coupling,
                      and a strong coupling to bond disproportionation are the key
                      factors underlying the transition. Experimental consequences
                      of this theoretical picture are discussed.},
      cin          = {MPSD},
      ddc          = {530},
      cid          = {I:(DE-H253)MPSD-20120731},
      pnm          = {899 - ohne Topic (POF3-899) / Q-MAC - Frontiers in Quantum
                      Materials Control (319286)},
      pid          = {G:(DE-HGF)POF3-899 / G:(EU-Grant)319286},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000350315100001},
      doi          = {10.1103/PhysRevB.91.075128},
      url          = {https://bib-pubdb1.desy.de/record/302079},
}