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Yan, XW; Gao, M; Lu, ZY; Xiang, T![]() | |
Ternary iron selenide K0.8Fe1.6Se2 is an antiferromagnetic semiconductor | |
发表期刊 | PHYSICAL REVIEW B
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语种 | 英语 |
关键词 | Superconductivity |
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. |
2011 | |
ISSN | 1098-0121 |
卷号 | 83期号:23页码:233205 |
学科领域 | Physics |
收录类别 | SCI |
项目资助者 | National Natural Science Foundation of China; MOST, China ; National Natural Science Foundation of China; MOST, China ; National Natural Science Foundation of China; MOST, China ; National Natural Science Foundation of China; MOST, China |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://ir.itp.ac.cn/handle/311006/14333 |
专题 | 理论物理所科研产出_SCI论文 |
通讯作者 | Yan, XW (reprint author), Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China. |
推荐引用方式 GB/T 7714 | 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. |
APA | Yan, XW,Gao, M,Lu, ZY,Xiang, T,&Yan, XW .(2011).Ternary iron selenide K0.8Fe1.6Se2 is an antiferromagnetic semiconductor.PHYSICAL REVIEW B,83(23),233205. |
MLA | Yan, XW,et al."Ternary iron selenide K0.8Fe1.6Se2 is an antiferromagnetic semiconductor".PHYSICAL REVIEW B 83.23(2011):233205. |
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