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Electronic and magnetic structures of the ternary iron selenides AFe(2)Se(2) ( A = Cs, Rb, K, or Tl)
Yan, XW; Gao, M; 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 B
ISSN1098-0121
卷号84期号:5页码:54502
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.
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
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 ; 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 ; 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:000293445100002
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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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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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