A better ferrimagnetic half-metal LuCu(3)Mn(4)O(12): Predicted from first-principles investigation
文献类型：期刊论文
| 作者 | Lv SH ; Li HP ; Han DM ; Wu ZJ ; Liu XJ ; Meng JA |
| 刊名 | journal of magnetism and magnetic materials
 |
| 出版日期 | 2011 |
| 卷号 | 323期号:5页码:416-421 |
| 关键词 | AUGMENTED-WAVE METHOD COMPLEX PEROVSKITE MAGNETORESISTANCE CACU3MN4O12 TEMPERATURE LACU3MN4O12 |
| ISSN号 | 0304-8853 |
| 通讯作者 | liu xj |
| 中文摘要 | electronic structure calculations based on density functional theory (dft) within the generalized gradient approximation (gga) and gga+u for manganite cuprate compound lucu(3)mn(4)o(12) have been performed, using the full-potential linearized augmented plane wave method. the calculated results indicate that lucu(3)mn(4)o(12) is ferrimagnetic and half-metallic in both gga and gga+u calculations. the minority-spin band gap is 0.7 ev within gga, which is larger than that of lacu(3)mn(4)o(12) (0.3 ev), indicating its better half-metallicity. further, the minority-spin gap enlarges from 0.7 to 2.8 ev with u taken into account, and simultaneously the fermi level being shifted to the middle of the gap, making the half-metallic energy gap to be 1.21 ev. these results demonstrate that electronic correlation effect enhances the stability of half-metallic property. these facts make this system interesting candidates for applications in spintronic devices. (c) 2010 elsevier b.v. all rights reserved. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| 公开日期 | 2012-06-11 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/44801]  |
| 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 | Lv SH,Li HP,Han DM,et al. A better ferrimagnetic half-metal LuCu(3)Mn(4)O(12): Predicted from first-principles investigation[J]. journal of magnetism and magnetic materials,2011,323(5):416-421. |
| APA | Lv SH,Li HP,Han DM,Wu ZJ,Liu XJ,&Meng JA.(2011).A better ferrimagnetic half-metal LuCu(3)Mn(4)O(12): Predicted from first-principles investigation.journal of magnetism and magnetic materials,323(5),416-421. |
| MLA | Lv SH,et al."A better ferrimagnetic half-metal LuCu(3)Mn(4)O(12): Predicted from first-principles investigation".journal of magnetism and magnetic materials 323.5(2011):416-421. |
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。