Theoretical Insights on the Electron Doping and Curie Temperature in La-Doped Sr(2)CrWO(6)
文献类型：期刊论文
| 作者 | Wang J ; Meng J ; Wu ZJ |
| 刊名 | journal of computational chemistry
 |
| 出版日期 | 2011 |
| 卷号 | 32期号:15页码:3313-3318 |
| 关键词 | INITIO MOLECULAR-DYNAMICS TOTAL-ENERGY CALCULATIONS AUGMENTED-WAVE METHOD DOUBLE PEROVSKITES BASIS-SET MAGNETORESISTANCE TRANSITION SR2CRREO6 TRANSPORT METALS |
| ISSN号 | 0192-8651 |
| 通讯作者 | wang j |
| 中文摘要 | the structure and electronic and magnetic properties of la(x)sr(2-x)crwo(6) (x = 0.0, 0.5, 1.0, 1.5, 2.0) were investigated by using the density functional theory. with the increase of la doping, the extra electrons are injected into w 5d orbitals, which makes the spin moments of w increase. in addition, the calculated curie temperature and total magnetic moments decrease with the increase of the electron doping, in agreement with the experimental observation. this also means that the decrease of curie temperature with the electron doping is intrinsic. half metallic properties are obtained for x = 0.0, 0.5, 1.5, and 2.0, whereas for x = 1.0, the compound is semiconducting. (c) 2011 wiley periodicals, inc. j comput chem 32: 3313-3318, 2011 |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| 公开日期 | 2012-06-08 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/44211]  |
| 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,Meng J,Wu ZJ. Theoretical Insights on the Electron Doping and Curie Temperature in La-Doped Sr(2)CrWO(6)[J]. journal of computational chemistry,2011,32(15):3313-3318. |
| APA | Wang J,Meng J,&Wu ZJ.(2011).Theoretical Insights on the Electron Doping and Curie Temperature in La-Doped Sr(2)CrWO(6).journal of computational chemistry,32(15),3313-3318. |
| MLA | Wang J,et al."Theoretical Insights on the Electron Doping and Curie Temperature in La-Doped Sr(2)CrWO(6)".journal of computational chemistry 32.15(2011):3313-3318. |
入库方式： OAI收割
来源：长春应用化学研究所
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