%0 Journal Article
%A Sakai, Yuki
%A Yang, Junye
%A Yu, Runze
%A Hojo, Hajime
%A Yamada, Ikuya
%A Miao, Ping
%A Lee, Sanghyun
%A Torii, Shuki
%A Kamiyama, Takashi
%A Ležaić, Marjana
%A Bihlmayer, Gustav
%A Mizumaki, Masaichiro
%A Komiyama, Jun
%A Mizokawa, Takashi
%A Yamamoto, Hajime
%A Nishikubo, Takumi
%A Hattori, Yuichiro
%A Oka, Kengo
%A Yin, Yunyu
%A Dai, Jianhong
%A Li, Wenmin
%A Ueda, Shigenori
%A Aimi, Akihisa
%A Mori, Daisuke
%A Inaguma, Yoshiyuki
%A Hu, Zhiwei
%A Uozumi, Takayuki
%A Jin, Changqing
%A Long, Youwen
%A Azuma, Masaki
%T A-Site and B-Site Charge Orderings in an s–d Level Controlled Perovskite Oxide PbCoO $_{3}$
%J Journal of the American Chemical Society
%V 139
%N 12
%@ 1520-5126
%C Washington, DC
%I American Chemical Society
%M FZJ-2017-02751
%P 4574 - 4581
%D 2017
%X 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.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000398247100055
%$ pmid:28240901
%R 10.1021/jacs.7b01851
%U https://juser.fz-juelich.de/record/828900