Striped antiferromagnetic order and electronic properties of stoichiometric LiFeAs from first-principles calculations
文献类型：期刊论文
| 作者 | Li, YF ; Liu, BG |
| 刊名 | EUROPEAN PHYSICAL JOURNAL B
 |
| 出版日期 | 2009 |
| 卷号 | 72期号:2页码:153 |
| 关键词 | 43 K T-C SUPERCONDUCTIVITY LAO1-XFXFEAS COMPOUND PRESSURE SYSTEMS |
| ISSN号 | 1434-6028 |
| 通讯作者 | Li, YF (reprint author), Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | We use state-of-the-arts first-principles method to investigate the structural, electronic, and magnetic properties of stoichiometric LiFeAs. We optimize fully all the structures, including lattice constants and internal position parameters, for different magnetic orders. We find the magnetic ground state by comparing the total energies among all the possible magnetic orders. Our calculated lattice constants and As internal position are in good agreement with experiment. The experimental fact that no magnetic phase transition has been observed at finite temperature can be attributed to the tiny inter-layer spin coupling. Our results show that stoichiometric LiFeAs has almost the same striped antiferromagnetic spin order as other FeAs-based parent compounds and tetragonal FeSe do, which may imply that all Fe-based superconductors have the same mechanism of superconductivity. |
| 收录类别 | SCI |
| 资助信息 | Nature Science Foundation of China [10874232, 10774180]; Chinese Academy of Sciences [KJCX2.YW.W09-5]; Chinese Department of Science and Technology [2005CB623602] |
| 语种 | 英语 |
| 公开日期 | 2013-09-24 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/53149]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Li, YF,Liu, BG. Striped antiferromagnetic order and electronic properties of stoichiometric LiFeAs from first-principles calculations[J]. EUROPEAN PHYSICAL JOURNAL B,2009,72(2):153. |
| APA | Li, YF,&Liu, BG.(2009).Striped antiferromagnetic order and electronic properties of stoichiometric LiFeAs from first-principles calculations.EUROPEAN PHYSICAL JOURNAL B,72(2),153. |
| MLA | Li, YF,et al."Striped antiferromagnetic order and electronic properties of stoichiometric LiFeAs from first-principles calculations".EUROPEAN PHYSICAL JOURNAL B 72.2(2009):153. |
入库方式： OAI收割
来源：物理研究所
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