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)

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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)
	Xiang, T
刊名	PHYSICAL REVIEW LETTERS
	2011
卷号	106 期号:8 页码:87005
关键词	SUPERCONDUCTIVITY
ISSN号	0031-9007
通讯作者	Yan, XW (reprint author), Renmin Univ China, Dept Phys, Beijing 100872, 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.
学科主题	Physics
收录类别	SCI
资助信息	National Natural Science Foundation of China; MOST, China
原文出处	http://dx.doi.org/10.1103/PhysRevLett.106.087005
语种	英语
WOS记录号	WOS:000287732600005
公开日期	2013-05-17
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/14404]
专题	理论物理研究所_理论物理所1978-2010年知识产出
推荐引用方式 GB/T 7714	Xiang, T. 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	Xiang, T.(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	Xiang, T."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.