CAS OpenIR  > 中科院上海应用物理研究所2011-2020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
Source PublicationCHINESE PHYSICS B
AbstractA 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.
KeywordIron-oxide Fe4o5 High-pressure Disproportionation Transition Cafeo3 Insulator Pbcro3
Indexed BySCI
WOS IDWOS:000428446200003
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Document Type期刊论文
Affiliation1.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):-.
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