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100 1 _ |a Sakai, Yuki
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245 _ _ |a A-Site and B-Site Charge Orderings in an s–d Level Controlled Perovskite Oxide PbCoO $_{3}$
260 _ _ |a Washington, DC
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|b American Chemical Society
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520 _ _ |a 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.
536 _ _ |a 142 - Controlling Spin-Based Phenomena (POF3-142)
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536 _ _ |a Ab initio study of novel multiferroic materials (jiff38_20090701)
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700 1 _ |a Hojo, Hajime
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700 1 _ |a Yamada, Ikuya
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700 1 _ |a Miao, Ping
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700 1 _ |a Lee, Sanghyun
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700 1 _ |a Torii, Shuki
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700 1 _ |a Mizumaki, Masaichiro
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700 1 _ |a Komiyama, Jun
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700 1 _ |a Mizokawa, Takashi
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700 1 _ |a Yamamoto, Hajime
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700 1 _ |a Nishikubo, Takumi
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700 1 _ |a Hattori, Yuichiro
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700 1 _ |a Oka, Kengo
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700 1 _ |a Yin, Yunyu
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700 1 _ |a Dai, Jianhong
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700 1 _ |a Li, Wenmin
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700 1 _ |a Ueda, Shigenori
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700 1 _ |a Hu, Zhiwei
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700 1 _ |a Uozumi, Takayuki
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700 1 _ |a Jin, Changqing
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700 1 _ |a Long, Youwen
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700 1 _ |a Azuma, Masaki
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773 _ _ |a 10.1021/jacs.7b01851
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