Electronic and magnetic structures of the ternary iron selenides AFe(2)Se(2) ( A = Cs, Rb, K, or Tl)

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	Electronic and magnetic structures of the ternary iron selenides AFe(2)Se(2) ( A = Cs, Rb, K, or Tl)
	Xiang, T
刊名	PHYSICAL REVIEW B
	2011
卷号	84 期号:5 页码:54502
ISSN号	1098-0121
通讯作者	Yan, XW (reprint author), Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China.
英文摘要	We have studied the electronic and magnetic structures of the ternary iron selenides AFe(2)Se(2) (A = Cs, Rb, K, or Tl) using first-principles electronic structure calculations. We find that the ground state of these compounds is bicollinearly antiferromagnetically ordered, with the Fe moments having collinear antiferromagnetic order in each bipartite sublattice. This bicollinear antiferromagnetic order results from the superexchange interactions of Fe moments mediated by the Se 4p orbitals. We have also determined the density of states at the Fermi level, the specific heat coefficient, the Pauli susceptibility, and other related physical properties in both the nonmagnetic and bicollinear antiferromagnetic states for these compounds. The underlying mechanism is discussed according to the electronic structure analysis.
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/PhysRevB.84.054502
语种	英语
WOS记录号	WOS:000293445100002
公开日期	2013-05-17
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/14297]
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 and magnetic structures of the ternary iron selenides AFe(2)Se(2) ( A = Cs, Rb, K, or Tl)[J]. PHYSICAL REVIEW B,2011,84(5):54502.
APA	Xiang, T.(2011).Electronic and magnetic structures of the ternary iron selenides AFe(2)Se(2) ( A = Cs, Rb, K, or Tl).PHYSICAL REVIEW B,84(5),54502.
MLA	Xiang, T."Electronic and magnetic structures of the ternary iron selenides AFe(2)Se(2) ( A = Cs, Rb, K, or Tl)".PHYSICAL REVIEW B 84.5(2011):54502.