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篇目详细内容

【篇名】 Electronic and magnetic structures of ternary iron telluride KFe2Te2
【刊名】 Frontiers of Physics
【刊名缩写】 Front. Phys.
【ISSN】 2095-0462
【EISSN】 2095-0470
【DOI】 10.1007/s11467-015-0495-8
【出版社】
【出版年】 2015
【卷期】 10 卷4期
【页码】 7-107403 页,共 107397 页
【作者】 Xu-Guang Xu; Wei Li;
【关键词】 iron-basel materials|electronic and magnetic structures

【摘要】

We examine the electronic and magnetic structures of iron telluride KFe2Te2 using first-principle calculations. We demonstrate that the ground state of this compound is in bicollinear antiferromagnetic order with Fe local moments (~ 2.6 μB) that are ferromagnetically aligned along a diagonal direction and antiferromagnetically aligned along the other diagonal in the Fe-Fe square lattice, similar to the alignment discovered in the parent compound of superconductor α-FeTe. This bicollinear antiferromagnetic order results from the interplay among the nearest, next-nearest, and next-nextnearest neighbor exchange interactions, which are mediated by Te 5p orbitals. This finding may aid our understanding of the interplay between magnetism and superconductivity in the family of iron-based materials.

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