Formation of unusual Cr5+ charge state in CaCr0.5Fe0.5O3 perovskite

doi:10.1088/1674-1056/27/3/037503

CAS OpenIR > 中科院上海应用物理研究所2011-2018年

	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
发表期刊	CHINESE PHYSICS B
ISSN	1674-1056
卷号	27 期号:3 页码:-
文章类型	期刊论文
摘要	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.
关键词	Iron-oxide Fe4o5 High-pressure Disproportionation Transition Cafeo3 Insulator Pbcro3
DOI	10.1088/1674-1056/27/3/037503
收录类别	SCI
语种	英语
WOS记录号	WOS:000428446200003
引用统计
文献类型	期刊论文
条目标识符	http://ir.sinap.ac.cn/handle/331007/29024
专题	中科院上海应用物理研究所2011-2018年
作者单位	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
推荐引用方式 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):-.

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