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@ARTICLE{Phuyal:459222,
      author       = {Phuyal, Dibya and Mukherjee, Soham and Panda, Swarup K. and
                      Man, Gabriel and Simonov, Konstantin and Simonelli, Laura
                      and Butorin, Sergei and Rensmo, Hakan and Karis, Olof},
      title        = {{N}onlocal {I}nteractions in the {D}ouble {P}erovskite
                      ${S}r_{2}{F}e{M}o{O}_{6}$ from {C}ore-{L}evel {X}-ray
                      {S}pectroscopy},
      journal      = {The journal of physical chemistry / C},
      volume       = {125},
      number       = {20},
      issn         = {1932-7455},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {PUBDB-2021-02498},
      pages        = {11249 - 11256},
      year         = {2021},
      abstract     = {The valence electronic structure of the half-metallic
                      double perovskite $Sr_{2}FeMoO_{6}$ forms from a strongly
                      hybridized band in the spin-down channel of Fe 3d and Mo 4d
                      states that provides metallic conductivity and a gapped
                      spin-up channel. The ground-state description has previously
                      been explored in terms of many-body interactions where local
                      and nonlocal interactions produce states with a combination
                      of a charge-transfer configuration and intersite charge
                      fluctuations. Here, we provide a qualitative understanding
                      on nonlocal effects in $Sr_{2}FeMoO_{6}$ using a combination
                      of core-level X-ray spectroscopies, specifically X-ray
                      absorption, emission, and photoelectron spectroscopies. Our
                      spectroscopic data indicate intersite Fe 4p–O 2p–Mo 4d
                      interactions to be the origin of these nonlocalized
                      transitions. Close to the Fermi level, this interaction is
                      dominated by Mo 4d–O 2p character. When our data are
                      compared against first-principles electronic structure
                      calculations, we conclude that a full understanding of the
                      nature of these states requires a spin-resolved description
                      of the hybridization functions and that the nonlocal
                      screening occurs predominantly through hybridization in the
                      minority spin channel of the Mo 4d bands.},
      cin          = {DOOR ; HAS-User},
      ddc          = {530},
      cid          = {I:(DE-H253)HAS-User-20120731},
      pnm          = {6G3 - PETRA III (DESY) (POF4-6G3) / FS-Proposal: I-20190708
                      EC (I-20190708-EC) / SWEDEN-DESY - SWEDEN-DESY Collaboration
                      $(2020_Join2-SWEDEN-DESY)$},
      pid          = {G:(DE-HGF)POF4-6G3 / G:(DE-H253)I-20190708-EC /
                      $G:(DE-HGF)2020_Join2-SWEDEN-DESY$},
      experiment   = {EXP:(DE-H253)P-P22-20150101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000657357100045},
      doi          = {10.1021/acs.jpcc.1c02580},
      url          = {https://bib-pubdb1.desy.de/record/459222},
}