| Literature DB >> 28240901 |
Yuki Sakai1, Junye Yang2, Runze Yu3, Hajime Hojo3, Ikuya Yamada4, Ping Miao5, Sanghyun Lee5, Shuki Torii5, Takashi Kamiyama5,6, Marjana Ležaić7, Gustav Bihlmayer7, Masaichiro Mizumaki8, Jun Komiyama9, Takashi Mizokawa10, Hajime Yamamoto3, Takumi Nishikubo3, Yuichiro Hattori3, Kengo Oka11, Yunyu Yin2, Jianhong Dai2, Wenmin Li2, Shigenori Ueda12,13, Akihisa Aimi14, Daisuke Mori14, Yoshiyuki Inaguma14, Zhiwei Hu15, Takayuki Uozumi16, Changqing Jin2,17,18, Youwen Long2,17, Masaki Azuma3.
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.Entities:
Year: 2017 PMID： 28240901 DOI： 10.1021/jacs.7b01851
Source DB: PubMed Journal: J Am Chem Soc ISSN： 0002-7863 Impact factor: 15.419