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| Formation of unusual Cr5+ charge state in CaCr0.5Fe0.5O3 perovskite | |
| Dai, JH; Zhao, Q; Sun, Q; Zhang, S; Wang, X; Shen, XD; Liu, ZH; Shen, X; Yu, RC; Chan, TS; Li, LX; Zhou, GH; Yang, YF; Jin, CQ; Long, YW | |
| 2018 | |
| Source Publication | CHINESE PHYSICS B
 |
| ISSN | 1674-1056 |
| Volume | 27Issue:3Pages:- |
| Subtype | 期刊论文 |
| Abstract | A new oxide CaCr0.5Fe0.5O3 was prepared under high pressure and temperature conditions. It crystallizes in a B-site disordered Pbnm perovskite structure. The charge combination is determined to be Cr5+/Fe3+ with the presence of unusual Cr5+ state in octahedral coordination, although Cr4+ and Fe4+ occur in the related perovskites CaCrO3 and CaFeO3. The randomly distributed Cr5+ and Fe3+ spins lead to short-range ferromagnetic coupling, whereas an antiferromagnetic phase transition takes place near 50 K due to the Fe3+-O-Fe3+ interaction. In spite of the B-site Cr5+/Fe3+ disorder, the compound exhibits electrical insulating behavior. First-principles calculations further demonstrate the formation of CaCr0.55+Fe0.53+O3 charge combination, and the electron correlation effect of Fe3+ plays an important role for the insulting ground state. CaCr0.5Fe0.5O3 provides the first Cr5+ perovskite system with octahedral coordination, opening a new avenue to explore novel transition-metal oxides with exotic charge states. |
| Keyword | Iron-oxide Fe4o5 High-pressure Disproportionation Transition Cafeo3 Insulator Pbcro3 |
| DOI | 10.1088/1674-1056/27/3/037503 |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:000428446200003 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/29024 |
| Collection | 中科院上海应用物理研究所2011-2019年 |
| Affiliation | 1.Dai, JH 2.Zhao, Q 3.Sun, Q 4.Zhang, S 5.Wang, X 6.Shen, XD 7.Liu, ZH 8.Shen, X 9.Yu, RC 10.Chan, TS 11.Li, LX 12.Zhou, GH 13.Yang, YF 14.Jin, CQ 15.Long, YW |
| Recommended Citation GB/T 7714 | Dai, JH,Zhao, Q,Sun, Q,et al. Formation of unusual Cr5+ charge state in CaCr0.5Fe0.5O3 perovskite[J]. CHINESE PHYSICS B,2018,27(3):-. |
| APA | Dai, JH.,Zhao, Q.,Sun, Q.,Zhang, S.,Wang, X.,...&Long, YW.(2018).Formation of unusual Cr5+ charge state in CaCr0.5Fe0.5O3 perovskite.CHINESE PHYSICS B,27(3),-. |
| MLA | Dai, JH,et al."Formation of unusual Cr5+ charge state in CaCr0.5Fe0.5O3 perovskite".CHINESE PHYSICS B 27.3(2018):-. |
| Files in This Item: | ||||||
| File Name/Size | DocType | Version | Access | License | ||
| Formation of unusual（1150KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Download | |
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