Fast and Huge Anisotropic Diffusion of Cu (Ag) and Its Resistance on the Sn Self-diffusivity in Solid β-Sn
文献类型：期刊论文
| 作者 | Liu Peitao; Wang Shoulong; Li Dianzhong; Li Yiyi; Chen Xingqiu |
| 刊名 | Journal of Materials Science & Technology
 |
| 出版日期 | 2016 |
| 卷号 | 32期号:2页码:121-128 |
| 关键词 | Diffusion Electromigration β-Sn First-principles |
| ISSN号 | 1005-0302 |
| 其他题名 | Fast and Huge Anisotropic Diffusion of Cu (Ag) and Its Resistance on the Sn Self-diffusivity in Solid β-Sn |
| 英文摘要 | The site preferences, fast and huge anisotropic diffusion mechanisms of Cu (Ag) in β-Sn as well as their reduction on the self-diffusivity of Sn, have been investigated using the first-principles and ab initio molecular dynamics methods. We have found that Cu prefers the interstitial site, whereas Ag is preferable in the substitutional site, which is mostly dominated by their different size factors. Electronic structure further evidences that the d-s hybridization between the solute and the host atom also contributes to the site preferences. It is also deduced that the fast diffusion of Cu (Ag) is mostly due to the interstitial diffusion mechanism and their diffusivity can be correlated with the amount of their respective interstitial solution. Their faster diffusion along the c-axis can be attributed to the extremely low migration energy barrier caused by the straight tunnel of considerable size with the screw axis symmetry of 2π/4 along the c-axis. Furthermore, it is found that during the process of diffusion the interstitially dissolved Cu (Ag) atoms would combine with the nearby Sn-vacancy and further annihilate the vacancy, thereby reducing the self-diffusion of Sn. |
| 语种 | 英语 |
| CSCD记录号 | CSCD:5645892 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/154845]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 作者单位 | 中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | Liu Peitao,Wang Shoulong,Li Dianzhong,et al. Fast and Huge Anisotropic Diffusion of Cu (Ag) and Its Resistance on the Sn Self-diffusivity in Solid β-Sn[J]. Journal of Materials Science & Technology,2016,32(2):121-128. |
| APA | Liu Peitao,Wang Shoulong,Li Dianzhong,Li Yiyi,&Chen Xingqiu.(2016).Fast and Huge Anisotropic Diffusion of Cu (Ag) and Its Resistance on the Sn Self-diffusivity in Solid β-Sn.Journal of Materials Science & Technology,32(2),121-128. |
| MLA | Liu Peitao,et al."Fast and Huge Anisotropic Diffusion of Cu (Ag) and Its Resistance on the Sn Self-diffusivity in Solid β-Sn".Journal of Materials Science & Technology 32.2(2016):121-128. |
入库方式： OAI收割
来源：金属研究所
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