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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)
Yan, XW; Gao, MA; Lu, ZY; Xiang, T; Yan, XW (reprint author), Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China.
2011
发表期刊PHYSICAL REVIEW LETTERS
ISSN0031-9007
卷号106期号:8页码:87005
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.
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
关键词Superconductivity
学科领域Physics
资助者National Natural Science Foundation of China; MOST, China ; National Natural Science Foundation of China; MOST, China ; National Natural Science Foundation of China; MOST, China ; National Natural Science Foundation of China; MOST, China
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收录类别SCI
语种英语
资助者National Natural Science Foundation of China; MOST, China ; National Natural Science Foundation of China; MOST, China ; National Natural Science Foundation of China; MOST, China ; National Natural Science Foundation of China; MOST, China
WOS记录号WOS:000287732600005
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被引频次:77[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/14404
专题理论物理所2011年知识产出
通讯作者Yan, XW (reprint author), Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China.
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GB/T 7714
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.
APA Yan, XW,Gao, MA,Lu, ZY,Xiang, T,&Yan, XW .(2011).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).PHYSICAL REVIEW LETTERS,106(8),87005.
MLA Yan, XW,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)".PHYSICAL REVIEW LETTERS 106.8(2011):87005.
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