TY  - JOUR
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
TI  - A-Site and B-Site Charge Orderings in an s–d Level Controlled Perovskite Oxide PbCoO $_{3}$
JO  - Journal of the American Chemical Society
VL  - 139
IS  - 12
SN  - 1520-5126
CY  - Washington, DC
PB  - American Chemical Society
M1  - FZJ-2017-02751
SP  - 4574 - 4581
PY  - 2017
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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000398247100055
C6  - pmid:28240901
DO  - DOI:10.1021/jacs.7b01851
UR  - https://juser.fz-juelich.de/record/828900
ER  -