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 DaiWenmin Li, Shigenori Ueda, Akihisa Aimi, Daisuke Mori, Yoshiyuki Inaguma, Zhiwei Hu, Takayuki Uozumi, Changqing Jin, Youwen Long, Masaki Azuma

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    21 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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    ASJC Scopus subject areas

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

    Cite this

    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., ... 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, 139(12), 4574-4581. https://doi.org/10.1021/jacs.7b01851