First-principles study of diffusion behaviour of point defects in the O-terminated (0001) surface in wurtzite ZnO
文献类型：期刊论文
| 作者 | Huang, GY ; Wang, CY ; Wang, JT |
| 刊名 | CHINESE PHYSICS B
 |
| 出版日期 | 2010 |
| 卷号 | 19期号:1 |
| 关键词 | CRYSTAL ZINC-OXIDE AUGMENTED-WAVE METHOD OXYGEN DIFFUSION SELF-DIFFUSION SINGLE |
| ISSN号 | 1674-1056 |
| 通讯作者 | Huang, GY: Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. |
| 中文摘要 | A detailed first-principles study of the diffusion behaviour of point defects in the O-terminated (0001) surface in wurtzite ZnO was performed. The O vacancy and interstitial are found to diffuse much more easily in surface than in bulk. The Zn vacancy has a similar migration barrier for both bulk and surface, but has much smaller barrier for the diffuse-in process. The Zn interstitial is difficult to diffuse in the surface directly, but it can diffuse into the bulk relatively easily. Specific values of corresponding migration barriers are obtained. |
| 收录类别 | SCI |
| 资助信息 | Ministry of Science and Technology of China [2006CB605102] |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/38242]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Huang, GY,Wang, CY,Wang, JT. First-principles study of diffusion behaviour of point defects in the O-terminated (0001) surface in wurtzite ZnO[J]. CHINESE PHYSICS B,2010,19(1). |
| APA | Huang, GY,Wang, CY,&Wang, JT.(2010).First-principles study of diffusion behaviour of point defects in the O-terminated (0001) surface in wurtzite ZnO.CHINESE PHYSICS B,19(1). |
| MLA | Huang, GY,et al."First-principles study of diffusion behaviour of point defects in the O-terminated (0001) surface in wurtzite ZnO".CHINESE PHYSICS B 19.1(2010). |
入库方式： OAI收割
来源：物理研究所
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