A-Site and B-Site Charge Orderings in an s-d Level Controlled Perovskite Oxide PbCoO3

Yuki Sakai, Junye Yang, Runze Yu, Hajime Hojo, Ikuya Yamada, Ping Miao, Sanghyun Lee, Shuki Torii, Takashi Kamiyama, Marjana Ležaić, Gustav Bihlmayer, Masaichiro Mizumaki, Jun Komiyama, Takashi Mizokawa, Hajime Yamamoto, Takumi Nishikubo, Yuichiro Hattori, Kengo Oka, Yunyu Yin, Jianhong Dai & 10 others Wenmin Li, Shigenori Ueda, Akihisa Aimi, Daisuke Mori, Yoshiyuki Inaguma, Zhiwei Hu, Takayuki Uozumi, Changqing Jin, Youwen Long, Masaki Azuma

    Research output: Contribution to journalArticle

    18 Citations (Scopus)

    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.

    Original languageEnglish
    Pages (from-to)4574-4581
    Number of pages8
    JournalJournal of the American Chemical Society
    Volume139
    Issue number12
    DOIs
    Publication statusPublished - 2017 Mar 29

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    Perovskite
    Oxides
    X-Ray Absorption Spectroscopy
    Neutron Diffraction
    Ions
    Powder Diffraction
    Photoelectron Spectroscopy
    Synchrotrons
    X ray absorption spectroscopy
    Neutron powder diffraction
    Charge distribution
    Photoelectron spectroscopy
    X ray spectroscopy
    Cobalt
    Electron diffraction
    X-Ray Diffraction
    Electron energy levels
    Specific heat
    Transition metals
    Density functional theory

    ASJC Scopus subject areas

    • Catalysis
    • Chemistry(all)
    • Biochemistry
    • Colloid and Surface Chemistry

    Cite this

    A-Site and B-Site Charge Orderings in an s-d Level Controlled Perovskite Oxide PbCoO3 . / Sakai, Yuki; Yang, Junye; Yu, Runze; Hojo, Hajime; Yamada, Ikuya; Miao, Ping; Lee, Sanghyun; Torii, Shuki; Kamiyama, Takashi; Ležaić, Marjana; Bihlmayer, Gustav; Mizumaki, Masaichiro; Komiyama, Jun; Mizokawa, Takashi; Yamamoto, Hajime; Nishikubo, Takumi; Hattori, Yuichiro; Oka, Kengo; Yin, Yunyu; Dai, Jianhong; Li, Wenmin; Ueda, Shigenori; Aimi, Akihisa; Mori, Daisuke; Inaguma, Yoshiyuki; Hu, Zhiwei; Uozumi, Takayuki; Jin, Changqing; Long, Youwen; Azuma, Masaki.

    In: Journal of the American Chemical Society, Vol. 139, No. 12, 29.03.2017, p. 4574-4581.

    Research output: Contribution to journalArticle

    Sakai, Y, Yang, J, Yu, R, Hojo, H, Yamada, I, Miao, P, Lee, S, Torii, S, Kamiyama, T, Ležaić, M, Bihlmayer, G, Mizumaki, M, Komiyama, J, Mizokawa, T, Yamamoto, H, Nishikubo, T, Hattori, Y, Oka, K, Yin, Y, Dai, J, Li, W, Ueda, S, Aimi, A, Mori, D, Inaguma, Y, Hu, Z, Uozumi, T, Jin, C, Long, Y & Azuma, M 2017, 'A-Site and B-Site Charge Orderings in an s-d Level Controlled Perovskite Oxide PbCoO3 ', Journal of the American Chemical Society, vol. 139, no. 12, pp. 4574-4581. https://doi.org/10.1021/jacs.7b01851
    Sakai, Yuki ; Yang, Junye ; Yu, Runze ; Hojo, Hajime ; Yamada, Ikuya ; Miao, Ping ; Lee, Sanghyun ; Torii, Shuki ; Kamiyama, Takashi ; Ležaić, Marjana ; Bihlmayer, Gustav ; Mizumaki, Masaichiro ; Komiyama, Jun ; Mizokawa, Takashi ; Yamamoto, Hajime ; Nishikubo, Takumi ; Hattori, Yuichiro ; Oka, Kengo ; Yin, Yunyu ; Dai, Jianhong ; Li, Wenmin ; Ueda, Shigenori ; Aimi, Akihisa ; Mori, Daisuke ; Inaguma, Yoshiyuki ; Hu, Zhiwei ; Uozumi, Takayuki ; Jin, Changqing ; Long, Youwen ; Azuma, Masaki. / A-Site and B-Site Charge Orderings in an s-d Level Controlled Perovskite Oxide PbCoO3 In: Journal of the American Chemical Society. 2017 ; Vol. 139, No. 12. pp. 4574-4581.
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    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.",
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    T1 - A-Site and B-Site Charge Orderings in an s-d Level Controlled Perovskite Oxide PbCoO3

    AU - Sakai, Yuki

    AU - Yang, Junye

    AU - Yu, Runze

    AU - Hojo, Hajime

    AU - Yamada, Ikuya

    AU - Miao, Ping

    AU - Lee, Sanghyun

    AU - Torii, Shuki

    AU - Kamiyama, Takashi

    AU - Ležaić, Marjana

    AU - Bihlmayer, Gustav

    AU - Mizumaki, Masaichiro

    AU - Komiyama, Jun

    AU - Mizokawa, Takashi

    AU - Yamamoto, Hajime

    AU - Nishikubo, Takumi

    AU - Hattori, Yuichiro

    AU - Oka, Kengo

    AU - Yin, Yunyu

    AU - Dai, Jianhong

    AU - Li, Wenmin

    AU - Ueda, Shigenori

    AU - Aimi, Akihisa

    AU - Mori, Daisuke

    AU - Inaguma, Yoshiyuki

    AU - Hu, Zhiwei

    AU - Uozumi, Takayuki

    AU - Jin, Changqing

    AU - Long, Youwen

    AU - Azuma, Masaki

    PY - 2017/3/29

    Y1 - 2017/3/29

    N2 - 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.

    AB - 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.

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    JO - Journal of the American Chemical Society

    JF - Journal of the American Chemical Society

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