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Ma, Fengjie; Ji, Wei; Hu, Jiangping; Lu, Zhong-Yi; Xiang, Tao; Ma, FJ , Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China
First-Principles Calculations of the Electronic Structure of Tetragonal alpha-FeTe and alpha-FeSe Crystals: Evidence for a Bicollinear Antiferromagnetic Order
Source PublicationPHYSICAL REVIEW LETTERS
KeywordSuperconductivity Phase
AbstractBy 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.
2009
ISSN0031-9007
Volume102Issue:17Pages:-
Subject AreaPhysics
Indexed BySCI
Funding OrganizationNational 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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Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/5338
Collection理论物理所科研产出_SCI论文
Corresponding AuthorMa, FJ , Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China
Recommended Citation
GB/T 7714
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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