| First-principles study of diffusion of oxygen vacancies and interstitials in ZnO | |
| Huang, Gui-Yang ; Wang, Chong-Yu ; Wang, Jian-Tao | |
| 2010-10-12 ; 2010-10-12 | |
| 关键词 | AUGMENTED-WAVE METHOD CRYSTAL ZINC-OXIDE SINGLE Physics, Condensed Matter |
| 中文摘要 | A comprehensive investigation of oxygen vacancy and interstitial diffusion in ZnO has been performed using ab initio total energy calculations with both the local density approximation (LDA) and the generalized gradient approximation (GGA). Based on our calculation results, oxygen octahedral interstitials are fast diffusers, contributing to annealing processes, as well as being responsible for the self-diffusion of oxygen for n-type ZnO, and oxygen vacancies are responsible for the self-diffusion of oxygen for p-type ZnO. |
| 语种 | 英语 ; 英语 |
| 出版者 | IOP PUBLISHING LTD ; BRISTOL ; DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND |
| 内容类型 | 期刊论文 |
| 源URL | [http://hdl.handle.net/123456789/81685]  |
| 专题 | 清华大学 |
| 推荐引用方式 GB/T 7714 | Huang, Gui-Yang,Wang, Chong-Yu,Wang, Jian-Tao. First-principles study of diffusion of oxygen vacancies and interstitials in ZnO[J],2010, 2010. |
| APA | Huang, Gui-Yang,Wang, Chong-Yu,&Wang, Jian-Tao.(2010).First-principles study of diffusion of oxygen vacancies and interstitials in ZnO.. |
| MLA | Huang, Gui-Yang,et al."First-principles study of diffusion of oxygen vacancies and interstitials in ZnO".(2010). |
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