Electronic and magnetic structures of ternary iron telluride KFe2Te2

doi:10.1007/s11467-015-0495-8

Frontiers of Physics

2015, Vol. 10

Issue (4): 107403 https://doi.org/10.1007/s11467-015-0495-8

RESEARCH ARTICLE

本期目录

Electronic and magnetic structures of ternary iron telluride KFe₂Te₂

Xu-Guang Xu,Wei Li(

)

State Key Laboratory of Functional Materials for Informatics and Shanghai Center for Superconductivity, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China

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Abstract：

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 μ_B) 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.

Key words： iron-basel materials electronic and magnetic structures

收稿日期: 2015-05-15 出版日期: 2015-08-17

Corresponding Author(s): Wei Li

引用本文:

. [J]. Frontiers of Physics, 2015, 10(4): 107403.
Xu-Guang Xu, Wei Li. Electronic and magnetic structures of ternary iron telluride KFe₂Te₂. Front. Phys. , 2015, 10(4): 107403.

链接本文:

https://academic.hep.com.cn/fop/CN/10.1007/s11467-015-0495-8
https://academic.hep.com.cn/fop/CN/Y2015/V10/I4/107403

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