First-principles study of CoO films on MnO (111): Stability and interfacial structure
文献类型：期刊论文
| 作者 | K. L. Yao ; H. M. Huang ; Z. L. Liu |
| 刊名 | Physica B-Condensed Matter
 |
| 出版日期 | 2008 |
| 卷号 | 403期号:18页码:3191-3194 |
| 关键词 | density functional theory surface energy electronic structure metal-ceramic interfaces electronic-structure magnetic anisotropy surface |
| ISSN号 | 0921-4526 |
| 中文摘要 | Based on the generalized gradient approximation, full potential linearized augmented plane-wave (FP-LAPW) calculations have been performed to study the stability and the interfacial structure of CoO/MnO (111). The surface energy, the strain energy and the binding energy are calculated and discussed. The calculations revealed that the CoO/MnO (111) is a stable interface structure. Also examined were the electronic properties and the atomic spin magnetic moments of the interface. It was found that the interface exhibited half-metallic property and the atomic magnetic moments were obviously weakened at the interface for metal atoms compared with the corresponding magnetic moments in bulk material. (C) 2008 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/33284]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | K. L. Yao,H. M. Huang,Z. L. Liu. First-principles study of CoO films on MnO (111): Stability and interfacial structure[J]. Physica B-Condensed Matter,2008,403(18):3191-3194. |
| APA | K. L. Yao,H. M. Huang,&Z. L. Liu.(2008).First-principles study of CoO films on MnO (111): Stability and interfacial structure.Physica B-Condensed Matter,403(18),3191-3194. |
| MLA | K. L. Yao,et al."First-principles study of CoO films on MnO (111): Stability and interfacial structure".Physica B-Condensed Matter 403.18(2008):3191-3194. |
入库方式： OAI收割
来源：金属研究所
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