First principles calculation of elastic and lattice constants of orthorhombic Cu3Sn crystal
文献类型：期刊论文
| 作者 | X. Y. Pang ; S. Q. Wang ; L. Zhang ; Z. Q. Liu ; J. K. Shang |
| 刊名 | Journal of Alloys and Compounds
 |
| 出版日期 | 2008 |
| 卷号 | 466期号:1-2页码:517-520 |
| 关键词 | Intermetallics Crystal structure Elasticity Computer simulations First principles free solder nanoindentation 1st-principles exchange growth sn |
| ISSN号 | 0925-8388 |
| 中文摘要 | The structure and elastic properties of a common intermetallic compound, Cu3Sn, at the interface of a solder and Cu metallization were investigated by the plane-wave pseudo-potential (PW-PP) method using the generalized gradient approximation (GGA). Through energy minimization, the lattice constants of the Cu3Sn orthorhombic crystal were calculated to within a very small range of the experimental values. Based on the structural information, the elastic constants of Cu3Sn crystal were determined from the first principles calculations. Using the single crystal results, the elastic constants of the polycrystalline Cu3Sn compound were predicted from the continuum theories. The predictions provided reasonable agreements with experimental data available. (C) 2007 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/321006/33046]  |
| 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 | X. Y. Pang,S. Q. Wang,L. Zhang,et al. First principles calculation of elastic and lattice constants of orthorhombic Cu3Sn crystal[J]. Journal of Alloys and Compounds,2008,466(1-2):517-520. |
| APA | X. Y. Pang,S. Q. Wang,L. Zhang,Z. Q. Liu,&J. K. Shang.(2008).First principles calculation of elastic and lattice constants of orthorhombic Cu3Sn crystal.Journal of Alloys and Compounds,466(1-2),517-520. |
| MLA | X. Y. Pang,et al."First principles calculation of elastic and lattice constants of orthorhombic Cu3Sn crystal".Journal of Alloys and Compounds 466.1-2(2008):517-520. |
入库方式： OAI收割
来源：金属研究所
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