期刊
PHYSICAL REVIEW LETTERS
卷 102, 期 17, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.102.177003
关键词
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资金
- National Natural Science Foundation of China
- National Program for Basic Research of MOST, China
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 BaFe2As2. This finding sheds new light on the origin of magnetic ordering in Fe-based superconductors.
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