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Yan, XW; Gao, M; Lu, ZY; Xiang, T; Yan, XW (reprint author), Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China.
Electronic and magnetic structures of the ternary iron selenides AFe(2)Se(2) ( A = Cs, Rb, K, or Tl)
发表期刊PHYSICAL REVIEW B
语种英语
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.
2011
ISSN1098-0121
卷号84期号:5页码:54502
学科领域Physics
收录类别SCI
项目资助者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
引用统计
被引频次:51[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/311006/14297
专题理论物理所科研产出_SCI论文
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, M,Lu, ZY,et al. 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 Yan, XW,Gao, M,Lu, ZY,Xiang, T,&Yan, XW .(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 Yan, XW,et al."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.
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