Studies of magnetic interactions in Ni-doped ZnO from first-principles calculations
文献类型：期刊论文
| 作者 | Pei GQ(裴广庆) ; Xia ZT(夏长泰) ; Wu Bo ; Wang Tao ; Zhang Lili ; Dong YJ(董永军) ; Xu J(徐军) |
| 刊名 | comput. mater. sci.
 |
| 出版日期 | 2008 |
| 卷号 | 43期号:3页码:489 |
| 关键词 | magnetic semiconductors first-principle electron theory density functional |
| ISSN号 | 0927-0256 |
| 中文摘要 | the magnetic interactions in ni-doped zno are calculated using gga and gga + u method of density functional theory. the following three cases: (i) ni-doped zno, (ii) (ni, al)-codoped zno, and (iii) (ni, li)-codoped zno are studied. the ferromagnetic ordering is always favorable for the three cases within gga method. however, the ferromagnetic state is sometimes favorable after treating within the method of gga + u. the gga underestimates the correlated interactions especially when the ni ions align directly to each other. (c) 2007 elsevier b.v. all rights reserved. |
| 学科主题 | 光学材料;晶体 |
| 收录类别 | EI |
| 资助信息 | shanghai natural science foundation of china [04zr14145]; chinese academy of sciences ; max-planck-society ; young scientist project in fujian province, china [2007f3045] |
| 语种 | 英语 |
| WOS记录号 | WOS:000259422700009 |
| 公开日期 | 2009-09-24 |
| 源URL | [http://ir.siom.ac.cn/handle/181231/6153]  |
| 专题 | 上海光学精密机械研究所_激光与光电子功能材料研发中心 |
| 推荐引用方式 GB/T 7714 | Pei GQ,Xia ZT,Wu Bo,et al. Studies of magnetic interactions in Ni-doped ZnO from first-principles calculations[J]. comput. mater. sci.,2008,43(3):489, 494. |
| APA | 裴广庆.,夏长泰.,Wu Bo.,Wang Tao.,Zhang Lili.,...&徐军.(2008).Studies of magnetic interactions in Ni-doped ZnO from first-principles calculations.comput. mater. sci.,43(3),489. |
| MLA | 裴广庆,et al."Studies of magnetic interactions in Ni-doped ZnO from first-principles calculations".comput. mater. sci. 43.3(2008):489. |
入库方式： OAI收割
来源：上海光学精密机械研究所
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