The influence of electron correlation and spin-orbit coupling on the half metallic properties of LaSrMoReO6, LaSrMoTcO6 and LaSrVOsO6
文献类型：期刊论文
| 作者 | Wang J ; Song WY ; Wu ZJ |
| 刊名 | chemical physics letters
 |
| 出版日期 | 2010 |
| 卷号 | 492期号:4-6页码:241-245 |
| 关键词 | INITIO MOLECULAR-DYNAMICS TOTAL-ENERGY CALCULATIONS AUGMENTED-WAVE METHOD BASIS-SET ANTIFERROMAGNETS MAGNETISM SEARCH |
| ISSN号 | 0009-2614 |
| 通讯作者 | wu zj |
| 中文摘要 | recently, lasrmoreo6, lasrmotco6, and lasrvoso6 have been predicted to be compensated half metals. in this study, they were re-examined by including both the electron correlation and spin-orbit coupling (soc) effect. it was found that for lasrmoreo6 and lasrmotco6, the spin-orbit coupling effect is minor, while the electron correlation plays the vital role in governing the half metallic properties. at selected u values, lasrmotco6 is half metallic, while lasrmoreo6 becomes a semiconductor. for lasrvoso6, the cooperative effect of the electron correlation and soc effect makes lasrvoso6 being a semiconductor. (c) 2010 elsevier b.v. all rights reserved. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000278217100006 |
| 公开日期 | 2012-06-06 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/43693]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Wang J,Song WY,Wu ZJ. The influence of electron correlation and spin-orbit coupling on the half metallic properties of LaSrMoReO6, LaSrMoTcO6 and LaSrVOsO6[J]. chemical physics letters,2010,492(4-6):241-245. |
| APA | Wang J,Song WY,&Wu ZJ.(2010).The influence of electron correlation and spin-orbit coupling on the half metallic properties of LaSrMoReO6, LaSrMoTcO6 and LaSrVOsO6.chemical physics letters,492(4-6),241-245. |
| MLA | Wang J,et al."The influence of electron correlation and spin-orbit coupling on the half metallic properties of LaSrMoReO6, LaSrMoTcO6 and LaSrVOsO6".chemical physics letters 492.4-6(2010):241-245. |
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来源：长春应用化学研究所
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