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题名: Ternary iron selenide K0.8Fe1.6Se2 is an antiferromagnetic semiconductor
作者: Yan, XW ;  Gao, M ;  Lu, ZY ;  Xiang, T
刊名: PHYSICAL REVIEW B
出版日期: 2011
卷号: 83, 期号:23, 页码:233205
关键词: SUPERCONDUCTIVITY
学科分类: Physics
通讯作者: Yan, XW (reprint author), Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China.
部门归属: [Yan, Xun-Wang; Gao, Miao; Lu, Zhong-Yi] Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China; [Yan, Xun-Wang; Xiang, Tao] Chinese Acad Sci, Inst Theoret Phys, Beijing 100190, Peoples R China; [Xiang, Tao] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China
英文摘要: We have studied electronic and magnetic structures of K0.8+xFe1.6Se2 by performing the first-principles electronic structure calculations. The ground state of the Fe-vacancies ordered K0.8Fe1.6Se2 is found to be a quasi-two-dimensional blocked checkerboard antiferromagnetic (AFM) semiconductor with an energy gap of 594 meV and a large ordering magnetic moment of 3.37 mu B for each Fe atom, in excellent agreement with the neutron-scattering measurement. The underlying mechanism is the chemical-bonding-driven tetramer lattice distortion. K0.8+xFe1.6Se2 with finite x is a doped AFM semiconductor with low conducting carrier concentration, which is approximately proportional to the excess potassium content, consistent qualitatively with the infrared observation. Our study reveals the importance of the interplay between antiferromagnetism and superconductivity in these materials. This suggests that K0.8Fe1.6Se2, instead of KFe2Se2, should be regarded as a parent compound from which the superconductivity emerges upon electron or hole doping.
资助者: National Natural Science Foundation of China; MOST, China
收录类别: SCI
原文出处: 查看原文
语种: 英语
WOS记录号: WOS:000291654500001
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/14333
Appears in Collections:理论物理所2011年知识产出_期刊论文

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Recommended Citation:
Yan, XW,Gao, M,Lu, ZY,et al. Ternary iron selenide K0.8Fe1.6Se2 is an antiferromagnetic semiconductor[J]. PHYSICAL REVIEW B,2011,83(23):233205.
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