Half metal to insulator transition driven by electron doping in Ba2FeReO6
文献类型：期刊论文
| 作者 | Wang J ; Zu NN ; Wang Y ; Wu ZJ |
| 刊名 | journal of magnetism and magnetic materials
 |
| 出版日期 | 2013 |
| 卷号 | 339页码:163-167 |
| 关键词 | INITIO MOLECULAR-DYNAMICS TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET DOUBLE PEROVSKITES MAGNETORESISTANCE SR2FEREO6 CA BA |
| ISSN号 | 0304-8853 |
| 通讯作者 | wang y |
| 中文摘要 | the la doped ba2fereo6 has been investigated by using the first-principles. our calculations indicated that with the increase of la doping, half metallic to insulating transition is observed from ba2fereo6, ba1.5la0.5fereo6 to balafereo6. the injection of electron mainly goes to re t(2g) orbitals, while fe 3d orbitals are nearly unchanged with the increase of la doping. the valence state of fe is 3 + for doped and undoped cases. for re, the valence state is 5+ in ba2fereo6, 4.5+ in ba1.5la0.5fereo6 and 4+ in balafereo6. the net magnetic moment decreases with the increase of la doping. (c) 2013 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:000318904100029 |
| 公开日期 | 2014-04-15 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/49712]  |
| 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,Zu NN,Wang Y,et al. Half metal to insulator transition driven by electron doping in Ba2FeReO6[J]. journal of magnetism and magnetic materials,2013,339:163-167. |
| APA | Wang J,Zu NN,Wang Y,&Wu ZJ.(2013).Half metal to insulator transition driven by electron doping in Ba2FeReO6.journal of magnetism and magnetic materials,339,163-167. |
| MLA | Wang J,et al."Half metal to insulator transition driven by electron doping in Ba2FeReO6".journal of magnetism and magnetic materials 339(2013):163-167. |
入库方式： OAI收割
来源：长春应用化学研究所
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