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题名: First-Principles Calculations of the Electronic Structure of Tetragonal alpha-FeTe and alpha-FeSe Crystals: Evidence for a Bicollinear Antiferromagnetic Order
作者: Ma, Fengjie ;  Ji, Wei ;  Hu, Jiangping ;  Lu, Zhong-Yi ;  Xiang, Tao
刊名: PHYSICAL REVIEW LETTERS
出版日期: 2009
卷号: 102, 期号:17, 页码:-
关键词: SUPERCONDUCTIVITY ;  PHASE
学科分类: Physics
通讯作者: Ma, FJ , Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China
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
英文摘要: 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.
资助者: National Natural Science Foundation of China; National Program for Basic Research of MOST, China
收录类别: SCI
原文出处: 查看原文
WOS记录号: WOS:000265948300053
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/5338
Appears in Collections:理论物理所1978-2010年知识产出_期刊论文

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Recommended Citation:
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):-.
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