Ni/Ni(3)Al interface: A density functional theory study
文献类型：期刊论文
| 作者 | C. Wang ; C. Y. Wang |
| 刊名 | Applied Surface Science
 |
| 出版日期 | 2009 |
| 卷号 | 255期号:6页码:3669-3675 |
| 关键词 | First-principle Interface Electronic structure metallic multilayers gamma'-phase energy ni al mechanisms crystal |
| ISSN号 | 0169-4332 |
| 中文摘要 | The optimal geometries, mechanical and thermal properties, and electronic structures of the three low index (0 0 1), (1 1 0), (1 1 1) Ni/Ni(3)Al thin film were studied using first principle calculations. Simulated results indicated that Ni and Al atoms in gamma' phase preferred to place in the hollow site of Ni atoms in g phase. In hollow sitemodels, electronic states affected by interface localize within 2 atomic layers. While the top site model, electronic states localize within 3 atomic layers. It is also found that hollow site (1 1 0) interface has the best mechanical properties. Hollow site (0 0 1) interface is the most easily formed interface, which has the best thermodynamic properties. (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/321006/32338]  |
| 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 | C. Wang,C. Y. Wang. Ni/Ni(3)Al interface: A density functional theory study[J]. Applied Surface Science,2009,255(6):3669-3675. |
| APA | C. Wang,&C. Y. Wang.(2009).Ni/Ni(3)Al interface: A density functional theory study.Applied Surface Science,255(6),3669-3675. |
| MLA | C. Wang,et al."Ni/Ni(3)Al interface: A density functional theory study".Applied Surface Science 255.6(2009):3669-3675. |
入库方式： OAI收割
来源：金属研究所
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