title: A-Site and B-Site Charge Orderings in an s-d Level Controlled Perovskite Oxide PbCoO3.
abstract: Perovskite PbCoO3synthesized at 12 GPa was found to have an unusual charge distribution of Pb2+Pb4+3Co2+2Co3+2O12with 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+2O12quadruple perovskite structure. It is shown that the average valence distribution of Pb3.5+Co2.5+O3between Pb3+Cr3+O3and Pb4+Ni2+O3can be stabilized by tuning the energy levels of Pb 6s and transition metal 3d orbitals.
authors.affiliation: Kanagawa Academy of Science and Technology , KSP, 3-2-1 Sakado, Takatsu-ku, Kawasaki City, Kanagawa 213-0012, Japan.
authors.forename: Yuki
authors.initials: Y
authors.lastname: Sakai
authors.affiliation: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences , Beijing 100190, China.
authors.forename: Junye
authors.initials: J
authors.lastname: Yang
authors.affiliation: Laboratory for Materials and Structures, Tokyo Institute of Technology , 4259 Nagatsuta, Midori, Yokohama 226-8503, Japan.
authors.forename: Runze
authors.initials: R
authors.lastname: Yu
authors.affiliation: Laboratory for Materials and Structures, Tokyo Institute of Technology , 4259 Nagatsuta, Midori, Yokohama 226-8503, Japan.
authors.forename: Hajime
authors.initials: H
authors.lastname: Hojo
authors.affiliation: Nanoscience and Nanotechnology Research Center, Osaka Prefecture University , 1-2 Gakuen-cho, Naka-ku, Sakai, Osaka 599-8570, Japan.
authors.forename: Ikuya
authors.identifier: 0000-0003-2340-131X
authors.initials: I
authors.lastname: Yamada
authors.affiliation: Institute of Materials Structure Science (IMSS), High Energy Accelerator Research Organization (KEK) , 203-1, Tokai-mura, Ibaraki 319-1106, Japan.
authors.forename: Ping
authors.initials: P
authors.lastname: Miao
authors.affiliation: Institute of Materials Structure Science (IMSS), High Energy Accelerator Research Organization (KEK) , 203-1, Tokai-mura, Ibaraki 319-1106, Japan.
authors.forename: Sanghyun
authors.initials: S
authors.lastname: Lee
authors.affiliation: Institute of Materials Structure Science (IMSS), High Energy Accelerator Research Organization (KEK) , 203-1, Tokai-mura, Ibaraki 319-1106, Japan.
authors.forename: Shuki
authors.initials: S
authors.lastname: Torii
authors.affiliation: Institute of Materials Structure Science (IMSS), High Energy Accelerator Research Organization (KEK) , 203-1, Tokai-mura, Ibaraki 319-1106, Japan.|Department of Materials Structure Science, School of High Energy Accelerator Science, SOKENDAI (The Graduate University for Advanced Studies) , 203-1, Tokai-mura, Ibaraki 319-1106, Japan.
authors.forename: Takashi
authors.initials: T
authors.lastname: Kamiyama
authors.affiliation: Peter Grünberg Institut and Institute for Advanced Simulation , Forschungszentrum Jülich and JARA, Jülich 52425, Germany.
authors.forename: Marjana
authors.initials: M
authors.lastname: Ležaić
authors.affiliation: Peter Grünberg Institut and Institute for Advanced Simulation , Forschungszentrum Jülich and JARA, Jülich 52425, Germany.
authors.forename: Gustav
authors.initials: G
authors.lastname: Bihlmayer
authors.affiliation: Japan Synchrotron Radiation Research Institute , SPring-8, Sayo-gun, Hyogo 679-5198, Japan.
authors.forename: Masaichiro
authors.initials: M
authors.lastname: Mizumaki
authors.affiliation: Department of Complexity Science and Engineering, University of Tokyo , 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8561, Japan.
authors.forename: Jun
authors.initials: J
authors.lastname: Komiyama
authors.affiliation: Department of Applied Physics, School of Advanced Science and Engineering, Waseda University , 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, Japan.
authors.forename: Takashi
authors.identifier: 0000-0002-7682-2348
authors.initials: T
authors.lastname: Mizokawa
authors.affiliation: Laboratory for Materials and Structures, Tokyo Institute of Technology , 4259 Nagatsuta, Midori, Yokohama 226-8503, Japan.
authors.forename: Hajime
authors.initials: H
authors.lastname: Yamamoto
authors.affiliation: Laboratory for Materials and Structures, Tokyo Institute of Technology , 4259 Nagatsuta, Midori, Yokohama 226-8503, Japan.
authors.forename: Takumi
authors.initials: T
authors.lastname: Nishikubo
authors.affiliation: Laboratory for Materials and Structures, Tokyo Institute of Technology , 4259 Nagatsuta, Midori, Yokohama 226-8503, Japan.
authors.forename: Yuichiro
authors.initials: Y
authors.lastname: Hattori
authors.affiliation: Department of Applied Chemistry, Faculty of Science and Engineering, Chuo University , 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551, Japan.
authors.forename: Kengo
authors.initials: K
authors.lastname: Oka
authors.affiliation: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences , Beijing 100190, China.
authors.forename: Yunyu
authors.initials: Y
authors.lastname: Yin
authors.affiliation: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences , Beijing 100190, China.
authors.forename: Jianhong
authors.initials: J
authors.lastname: Dai
authors.affiliation: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences , Beijing 100190, China.
authors.forename: Wenmin
authors.initials: W
authors.lastname: Li
authors.affiliation: Quantum Beam Unit, National Institute for Materials Science , Sengen, Tsukuba 305-0047, Japan.|Synchrotron X-ray Station at SPring-8, National Institute for Materials Science , Sayo, Hyogo 679-5148, Japan.
authors.forename: Shigenori
authors.initials: S
authors.lastname: Ueda
authors.affiliation: Department of Chemistry, Faculty of Science, Gakushuin University , 1-5-1 Mejiro, Toshima-ku, Tokyo 171-8588, Japan.
authors.forename: Akihisa
authors.initials: A
authors.lastname: Aimi
authors.affiliation: Department of Chemistry, Faculty of Science, Gakushuin University , 1-5-1 Mejiro, Toshima-ku, Tokyo 171-8588, Japan.
authors.forename: Daisuke
authors.initials: D
authors.lastname: Mori
authors.affiliation: Department of Chemistry, Faculty of Science, Gakushuin University , 1-5-1 Mejiro, Toshima-ku, Tokyo 171-8588, Japan.
authors.forename: Yoshiyuki
authors.initials: Y
authors.lastname: Inaguma
authors.affiliation: Max-Planck Institute for Chemical Physics of Solids , Nöthnitzer Straße 40, 01187 Dresden, Germany.
authors.forename: Zhiwei
authors.initials: Z
authors.lastname: Hu
authors.affiliation: Graduate School of Engineering, Osaka Prefecture University , 1-1 Gakuen-cho, Sakai, Osaka 599-8531, Japan.
authors.forename: Takayuki
authors.initials: T
authors.lastname: Uozumi
authors.affiliation: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences , Beijing 100190, China.|Collaborative Innovation Center of Quantum Matter, University of Chinese Academy of Sciences , Beijing 100190, China.|School of Physical Sciences, University of Chinese Academy of Sciences , Beijing 100190, China.
authors.forename: Changqing
authors.initials: C
authors.lastname: Jin
authors.affiliation: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences , Beijing 100190, China.|Collaborative Innovation Center of Quantum Matter, University of Chinese Academy of Sciences , Beijing 100190, China.
authors.forename: Youwen
authors.identifier: 0000-0002-8587-7818
authors.initials: Y
authors.lastname: Long
authors.affiliation: Laboratory for Materials and Structures, Tokyo Institute of Technology , 4259 Nagatsuta, Midori, Yokohama 226-8503, Japan.
authors.forename: Masaki
authors.identifier: 0000-0002-8378-321X
authors.initials: M
authors.lastname: Azuma