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First-Principles Calculations of the Electronic Structure of Tetragonal alpha-FeTe and alpha-FeSe Crystals: Evidence for a Bicollinear Antiferromagnetic Order
Ma, Fengjie; Ji, Wei; Hu, Jiangping; Lu, Zhong-Yi; Xiang, Tao; Ma, FJ , Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China
2009
发表期刊PHYSICAL REVIEW LETTERS
ISSN0031-9007
卷号102期号:17页码:-
摘要By the first-principles electronic structure calculations, we find that the ground state of PbO-type tetragonal alpha-FeTe is in a bicollinear antiferromagnetic order, in which the Fe local moments (similar to 2.5 mu(B)) align ferromagnetically along a diagonal direction and antiferromagnetically along the other diagonal direction on the Fe square lattice. This novel bicollinear order results from the interplay among the nearest, the next-nearest, and the next-next-nearest neighbor superexchange interactions, mediated by Te 5p band. In contrast, the ground state of alpha-FeSe is in a collinear antiferromagnetic order, similar to those in LaFeAsO and BaFe(2)As(2). This finding sheds new light on the origin of magnetic ordering in Fe-based superconductors.
部门归属[Ma, FJ; Ji, W; Lu, ZY] Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China; [Ma, FJ; Xiang, T] Chinese Acad Sci, Inst Theoret Phys, Beijing 100190, Peoples R China; [Hu, JP] Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA; [Xiang, T] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China
关键词Superconductivity Phase
学科领域Physics
资助者National Natural Science Foundation of China; National Program for Basic Research of MOST, China ; National Natural Science Foundation of China; National Program for Basic Research of MOST, China ; National Natural Science Foundation of China; National Program for Basic Research of MOST, China ; National Natural Science Foundation of China; National Program for Basic Research of MOST, China ; National Natural Science Foundation of China; National Program for Basic Research of MOST, China ; National Natural Science Foundation of China; National Program for Basic Research of MOST, China ; National Natural Science Foundation of China; National Program for Basic Research of MOST, China ; National Natural Science Foundation of China; National Program for Basic Research of MOST, China
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收录类别SCI
资助者National Natural Science Foundation of China; National Program for Basic Research of MOST, China ; National Natural Science Foundation of China; National Program for Basic Research of MOST, China ; National Natural Science Foundation of China; National Program for Basic Research of MOST, China ; National Natural Science Foundation of China; National Program for Basic Research of MOST, China ; National Natural Science Foundation of China; National Program for Basic Research of MOST, China ; National Natural Science Foundation of China; National Program for Basic Research of MOST, China ; National Natural Science Foundation of China; National Program for Basic Research of MOST, China ; National Natural Science Foundation of China; National Program for Basic Research of MOST, China
WOS记录号WOS:000265948300053
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被引频次:215[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/311006/5338
专题理论物理所SCI论文
通讯作者Ma, FJ , Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China
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Ma, Fengjie,Ji, Wei,Hu, Jiangping,et al. First-Principles Calculations of the Electronic Structure of Tetragonal alpha-FeTe and alpha-FeSe Crystals: Evidence for a Bicollinear Antiferromagnetic Order[J]. PHYSICAL REVIEW LETTERS,2009,102(17):-.
APA Ma, Fengjie,Ji, Wei,Hu, Jiangping,Lu, Zhong-Yi,Xiang, Tao,&Ma, FJ , Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China.(2009).First-Principles Calculations of the Electronic Structure of Tetragonal alpha-FeTe and alpha-FeSe Crystals: Evidence for a Bicollinear Antiferromagnetic Order.PHYSICAL REVIEW LETTERS,102(17),-.
MLA Ma, Fengjie,et al."First-Principles Calculations of the Electronic Structure of Tetragonal alpha-FeTe and alpha-FeSe Crystals: Evidence for a Bicollinear Antiferromagnetic Order".PHYSICAL REVIEW LETTERS 102.17(2009):-.
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