Pressure-Induced Half-Metallic Ferrimagnetism in La2VMnO6
文献类型：期刊论文
| 作者 | Zu NN ; Wang J ; Wu ZJ |
| 刊名 | journal of physical chemistry c
 |
| 出版日期 | 2013 |
| 卷号 | 117期号:14页码:7231-7235 |
| 关键词 | INITIO MOLECULAR-DYNAMICS TOTAL-ENERGY CALCULATIONS AUGMENTED-WAVE METHOD BASIS-SET ANTIFERROMAGNETS SEARCH |
| ISSN号 | 1932-7447 |
| 通讯作者 | wu zj |
| 中文摘要 | stable and ordered la2vmno6 thin film has been synthesized recently and measured to be an insulating ferrimagnet, which is contrary to previous theoretical prediction of compensated half-metal with mn3+(d(4)) in low spin state (t(2g)(3)up arrow t(2g)(1)down arrow). we performed an investigation on the electronic and magnetic properties of la2vmno6 by using the density functional theory. an insulating ferrimagnet is obtained only by considering the electron correlation and spin-orbit coupling simultaneously with mn3+ in high spin state (t(2g)(3)up arrow e(g)(1)up arrow), in agreement with the experiment. under some critical pressure, mn3+ experiences a transition from high spin state to low spin state, making la2vmno6 a half-metallic ferrimagnet. the total spin magnetic moment is zero, while the coulomb-enhanced orbital moment is observed for v (0.10 mu(b)) and mn (0.69 mu(b)). |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000317552200037 |
| 公开日期 | 2014-04-16 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/49919]  |
| 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 | Zu NN,Wang J,Wu ZJ. Pressure-Induced Half-Metallic Ferrimagnetism in La2VMnO6[J]. journal of physical chemistry c,2013,117(14):7231-7235. |
| APA | Zu NN,Wang J,&Wu ZJ.(2013).Pressure-Induced Half-Metallic Ferrimagnetism in La2VMnO6.journal of physical chemistry c,117(14),7231-7235. |
| MLA | Zu NN,et al."Pressure-Induced Half-Metallic Ferrimagnetism in La2VMnO6".journal of physical chemistry c 117.14(2013):7231-7235. |
入库方式： OAI收割
来源：长春应用化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。