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@ARTICLE{Rogge:859717,
      author       = {Rogge, Paul C. and Chandrasena, Ravini U. and Cammarata,
                      Antonio and Green, Robert J. and Shafer, Padraic and Lefler,
                      Benjamin M. and Huon, Amanda and Arab, Arian and Arenholz,
                      Elke and Lee, Ho Nyung and Lee, Tien-Lin and Nemsak,
                      Slavomir and Rondinelli, James M. and Gray, Alexander X. and
                      May, Steven J.},
      title        = {{E}lectronic structure of negative charge transfer
                      {C}a{F}e{O} 3 across the metal-insulator transition},
      journal      = {Physical review materials},
      volume       = {2},
      number       = {1},
      issn         = {2475-9953},
      address      = {College Park, MD},
      publisher    = {APS},
      reportid     = {FZJ-2019-00554},
      pages        = {015002},
      year         = {2018},
      abstract     = {We investigated the metal-insulator transition for
                      epitaxial thin films of the perovskite CaFeO3, a material
                      with a significant oxygen ligand hole contribution to its
                      electronic structure. We find that biaxial tensile and
                      compressive strain suppress the metal-insulator transition
                      temperature. By combining hard x-ray photoelectron
                      spectroscopy, soft x-ray absorption spectroscopy, and
                      density functional calculations, we resolve the
                      element-specific changes to the electronic structure across
                      the metal-insulator transition. We demonstrate that the Fe
                      sites undergo no observable spectroscopic change between the
                      metallic and insulating states, whereas the O electronic
                      configuration undergoes significant changes. This strongly
                      supports the bond-disproportionation model of the
                      metal-insulator transition for CaFeO3 and highlights the
                      importance of ligand holes in its electronic structure. By
                      sensitively measuring the ligand hole density, however, we
                      find that it increases by $∼5–10\%$ in the insulating
                      state, which we ascribe to a further localization of
                      electron charge on the Fe sites. These results provide
                      detailed insight into the metal-insulator transition of
                      negative charge transfer compounds and should prove
                      instructive for understanding metal-insulator transitions in
                      other late transition metal compounds such as the
                      nickelates.},
      cin          = {PGI-6},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-6-20110106},
      pnm          = {522 - Controlling Spin-Based Phenomena (POF3-522)},
      pid          = {G:(DE-HGF)POF3-522},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000423527600003},
      doi          = {10.1103/PhysRevMaterials.2.015002},
      url          = {https://juser.fz-juelich.de/record/859717},
}