Knowledge Management System of Institute of Theoretical Physics, CAS
Yan, XW; Gao, M; Lu, ZY; Xiang, T ; Yan, XW (reprint author), Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China.
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| Ternary iron selenide K0.8Fe1.6Se2 is an antiferromagnetic semiconductor | |
| Source Publication | PHYSICAL REVIEW B
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| Language | 英语 |
| Keyword | Superconductivity |
| Abstract | 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 |
| Volume | 83Issue:23Pages:233205 |
| Subject Area | Physics |
| Indexed By | SCI |
| Funding Organization | 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 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.itp.ac.cn/handle/311006/14333 |
| Collection | 理论物理所科研产出_SCI论文 |
| Corresponding Author | Yan, XW (reprint author), Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China. |
| Recommended Citation 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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| Ternary iron selenid（797KB） | 开放获取 | License | Application Full Text | |||
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