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题名: Electronic Structures and Magnetic Order of Ordered-Fe-Vacancy Ternary Iron Selenides TlFe1.5Se2 and AFe(1.5)Se(2) (A = K, Rb, or Cs)
作者: Yan, XW ;  Gao, MA ;  Lu, ZY ;  Xiang, T
刊名: PHYSICAL REVIEW LETTERS
出版日期: 2011
卷号: 106, 期号:8, 页码:87005
关键词: SUPERCONDUCTIVITY
学科分类: Physics
通讯作者: Yan, XW (reprint author), Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China.
部门归属: [Yan, Xun-Wang; Gao, Miao; Lu, Zhong-Yi] Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China; [Yan, Xun-Wang; Xiang, Tao] Chinese Acad Sci, Inst Theoret Phys, Beijing 100190, Peoples R China; [Xiang, Tao] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China
英文摘要: By the first-principles electronic structure calculations, we find that the ground state of the Fe-vacancies ordered TlFe1.5Se2 is a quasi-two-dimensional collinear antiferromagnetic semiconductor with an energy gap of 94 meV, in agreement with experimental measurements. This antiferromagnetic order is driven by the Se-bridged antiferromagnetic superexchange interactions between Fe moments. Similarly, we find that crystals AFe(1.5)Se(2) (A = K, Rb, or Cs) are also antiferromagnetic semiconductors but with a zero-gap semiconducting state or semimetallic state nearly degenerated with the ground states. Thus, rich physical properties and phase diagrams are expected.
资助者: National Natural Science Foundation of China; MOST, China
收录类别: SCI
原文出处: 查看原文
语种: 英语
WOS记录号: WOS:000287732600005
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/14404
Appears in Collections:理论物理所2011年知识产出_期刊论文

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Recommended Citation:
Yan, XW,Gao, MA,Lu, ZY,et al. Electronic Structures and Magnetic Order of Ordered-Fe-Vacancy Ternary Iron Selenides TlFe1.5Se2 and AFe(1.5)Se(2) (A = K, Rb, or Cs)[J]. PHYSICAL REVIEW LETTERS,2011,106(8):87005.
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文件名: Electronic Structures and Magnetic Order of Ordered-Fe-Vacancy Ternary Iron Selenides TlFe1.5Se2 and AFe1.5Se2 (A=K, Rb, or Cs).pdf
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