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@ARTICLE{Sakai:828900,
      author       = {Sakai, Yuki and Yang, Junye and Yu, Runze and Hojo, Hajime
                      and Yamada, Ikuya and Miao, Ping and Lee, Sanghyun and
                      Torii, Shuki and Kamiyama, Takashi and Ležaić, Marjana and
                      Bihlmayer, Gustav and Mizumaki, Masaichiro and Komiyama, Jun
                      and Mizokawa, Takashi and Yamamoto, Hajime and Nishikubo,
                      Takumi and Hattori, Yuichiro and Oka, Kengo and Yin, Yunyu
                      and Dai, Jianhong and Li, Wenmin and Ueda, Shigenori and
                      Aimi, Akihisa and Mori, Daisuke and Inaguma, Yoshiyuki and
                      Hu, Zhiwei and Uozumi, Takayuki and Jin, Changqing and Long,
                      Youwen and Azuma, Masaki},
      title        = {{A}-{S}ite and {B}-{S}ite {C}harge {O}rderings in an s–d
                      {L}evel {C}ontrolled {P}erovskite {O}xide {P}b{C}o{O}
                      $_{3}$},
      journal      = {Journal of the American Chemical Society},
      volume       = {139},
      number       = {12},
      issn         = {1520-5126},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2017-02751},
      pages        = {4574 - 4581},
      year         = {2017},
      abstract     = {Perovskite PbCoO3 synthesized at 12 GPa was found to have
                      an unusual charge distribution of Pb2+Pb4+3Co2+2Co3+2O12
                      with charge orderings in both the A and B sites of
                      perovskite ABO3. Comprehensive studies using density
                      functional theory (DFT) calculation, electron diffraction
                      (ED), synchrotron X-ray diffraction (SXRD), neutron powder
                      diffraction (NPD), hard X-ray photoemission spectroscopy
                      (HAXPES), soft X-ray absorption spectroscopy (XAS), and
                      measurements of specific heat as well as magnetic and
                      electrical properties provide evidence of lead ion and
                      cobalt ion charge ordering leading to Pb2+Pb4+3Co2+2Co3+2O12
                      quadruple perovskite structure. It is shown that the average
                      valence distribution of Pb3.5+Co2.5+O3 between Pb3+Cr3+O3
                      and Pb4+Ni2+O3 can be stabilized by tuning the energy levels
                      of Pb 6s and transition metal 3d orbitals.},
      cin          = {PGI-1 / IAS-1 / JARA-FIT / JARA-HPC},
      ddc          = {540},
      cid          = {I:(DE-Juel1)PGI-1-20110106 / I:(DE-Juel1)IAS-1-20090406 /
                      $I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142) / Ab
                      initio study of novel multiferroic materials
                      $(jiff38_20090701)$},
      pid          = {G:(DE-HGF)POF3-142 / $G:(DE-Juel1)jiff38_20090701$},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000398247100055},
      pubmed       = {pmid:28240901},
      doi          = {10.1021/jacs.7b01851},
      url          = {https://juser.fz-juelich.de/record/828900},
}