Insulator-half metal transition driven by hole doping: a density functional study of Sr-doped La2VMnO6
文献类型：期刊论文
| 作者 | Zu, Ningning ; Wang, Jing ; Wang, Ying ; Wu, Zhijian |
| 刊名 | dalton transactions
 |
| 出版日期 | 2014 |
| 卷号 | 43期号:23页码:8698-8702 |
| 关键词 | INITIO MOLECULAR-DYNAMICS TOTAL-ENERGY CALCULATIONS AUGMENTED-WAVE METHOD DOUBLE PEROVSKITES BASIS-SET MAGNETORESISTANCE SEARCH |
| 通讯作者 | wang,y |
| 英文摘要 | la2vmno6 is an insulating ferrimagnet experimentally. by substituting la with sr, la2-xsrxvmno6 (x = 0.5, 1.0, 1.5, 2.0) was investigated using the density functional theory. our results indicated that half metallic properties are obtained for x = 0.5, 1.5, 2.0. for x = 1.0, it is insulating. with the increase of hole doping, the holes initially go to v 3d orbitals for x = 0.5, 1.0, and after that, the holes go to the mn 3d orbitals for x = 1.5, 2.0. ferrimagnetic coupling between v and mn is found to be the ground state for x = 0.5, 1.5, while for x = 1.0 and 2.0, ferromagnetic and antiferromagnetic couplings between mn and mn are competitive for the ground state. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000336800700015 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/57192]  |
| 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, Ningning,Wang, Jing,Wang, Ying,et al. Insulator-half metal transition driven by hole doping: a density functional study of Sr-doped La2VMnO6[J]. dalton transactions,2014,43(23):8698-8702. |
| APA | Zu, Ningning,Wang, Jing,Wang, Ying,&Wu, Zhijian.(2014).Insulator-half metal transition driven by hole doping: a density functional study of Sr-doped La2VMnO6.dalton transactions,43(23),8698-8702. |
| MLA | Zu, Ningning,et al."Insulator-half metal transition driven by hole doping: a density functional study of Sr-doped La2VMnO6".dalton transactions 43.23(2014):8698-8702. |
入库方式： OAI收割
来源：长春应用化学研究所
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