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

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

中国物理B ›› 2018, Vol. 27 ›› Issue (3): 37503-037503.doi: 10.1088/1674-1056/27/3/037503

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇下一篇

Formation of unusual Cr⁵⁺ charge state in CaCr_0.5Fe_0.5O₃ perovskite

Jian-Hong Dai(戴建洪), Qing Zhao(赵庆), Qian Sun(孙倩), Shuo Zhang(张硕), Xiao Wang(王潇), Xu-Dong Shen(申旭东), Zhe-Hong Liu(刘哲宏), Xi Shen(沈希), Ri-Cheng Yu(禹日成), Ting-Shan Chan(詹丁山), Lun-Xiong Li(李论雄), Guang-Hui Zhou(周光辉), Yi-feng Yang(杨义峰), Chang-Qing Jin(靳常青), You-Wen Long(龙有文)

1 Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;
2 School of Physics, University of Chinese Academy of Sciences, Beijing 100049, China;
3 Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201203, China;
4 "National" Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu 30076, Taiwan, China;
5 Institute for Brain Research and Rehabilitation, South China Normal University, Guangzhou 510631, China;
6 Department of Physics and Synergetic Innovation Center for Quantum Effects and Applications of Hunan, Hunan Normal University, Changsha 410081, China

收稿日期:2018-01-30 修回日期:2018-02-09 出版日期:2018-03-05 发布日期:2018-03-05
通讯作者: Yi-feng Yang, You-Wen Long E-mail:yifeng@iphy.ac.cn;ywlong@iphy.ac.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11574378, 51772324, and 61404052), the National Basic Research Program of China (Grant No. 2014CB921500), and the Chinese Academy of Sciences (Grant Nos. YZ201555, QYZDB-SSW-SLH013, GJHZ1773, and XDB07030300).

Formation of unusual Cr⁵⁺ charge state in CaCr_0.5Fe_0.5O₃ perovskite

Jian-Hong Dai(戴建洪)^1,2, Qing Zhao(赵庆)¹, Qian Sun(孙倩)¹, Shuo Zhang(张硕)³, Xiao Wang(王潇)^1,2, Xu-Dong Shen(申旭东)^1,2, Zhe-Hong Liu(刘哲宏)^1,2, Xi Shen(沈希)^1,2, Ri-Cheng Yu(禹日成)¹, Ting-Shan Chan(詹丁山)⁴, Lun-Xiong Li(李论雄)⁵, Guang-Hui Zhou(周光辉)⁶, Yi-feng Yang(杨义峰)^1,2, Chang-Qing Jin(靳常青)^1,2, You-Wen Long(龙有文)^1,2

1 Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;
2 School of Physics, University of Chinese Academy of Sciences, Beijing 100049, China;
3 Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201203, China;
4 "National" Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu 30076, Taiwan, China;
5 Institute for Brain Research and Rehabilitation, South China Normal University, Guangzhou 510631, China;
6 Department of Physics and Synergetic Innovation Center for Quantum Effects and Applications of Hunan, Hunan Normal University, Changsha 410081, China

Received:2018-01-30 Revised:2018-02-09 Online:2018-03-05 Published:2018-03-05
Contact: Yi-feng Yang, You-Wen Long E-mail:yifeng@iphy.ac.cn;ywlong@iphy.ac.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11574378, 51772324, and 61404052), the National Basic Research Program of China (Grant No. 2014CB921500), and the Chinese Academy of Sciences (Grant Nos. YZ201555, QYZDB-SSW-SLH013, GJHZ1773, and XDB07030300).

摘要/Abstract

摘要：

A new oxide CaCr_0.5Fe_0.5O₃ 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 CaCr_0.5⁵⁺Fe_0.5³⁺O₃ charge combination, and the electron correlation effect of Fe³⁺ plays an important role for the insulting ground state. CaCr_0.5Fe_0.5O₃ 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: high pressure synthesis, perovskite, valence state

Abstract:

Key words: high pressure synthesis, perovskite, valence state

中图分类号: (General theory and models of magnetic ordering)

75.10.-b

61.05.cj (X-ray absorption spectroscopy: EXAFS, NEXAFS, XANES, etc.) 71.45.Gm (Exchange, correlation, dielectric and magnetic response functions, plasmons) 62.50.-p (High-pressure effects in solids and liquids)

戴建洪, 赵庆, 孙倩, 张硕, 王潇, 申旭东, 刘哲宏, 沈希, 禹日成, 詹丁山, 李论雄, 周光辉, 杨义峰, 靳常青, 龙有文. Formation of unusual Cr⁵⁺ charge state in CaCr_0.5Fe_0.5O₃ perovskite[J]. 中国物理B, 2018, 27(3): 37503-037503.

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Formation of unusual Cr⁵⁺ charge state in CaCr_0.5Fe_0.5O₃ perovskite

Formation of unusual Cr⁵⁺ charge state in CaCr_0.5Fe_0.5O₃ perovskite

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