Defects in gallium nitride nanowires: first principles calculations
文献类型：期刊论文
| 作者 | Wang, Zhiguo1,2; Li, Jingbo2; Gao, Fei3; Weber, William J.3 |
| 刊名 | Journal of applied physics
 |
| 出版日期 | 2010-08-15 |
| 卷号 | 108期号:4页码:6 |
| ISSN号 | 0021-8979 |
| DOI | 10.1063/1.3476280 |
| 通讯作者 | Wang, zhiguo(zgwang@uestc.edu.cn) |
| 英文摘要 | Atomic configurations and formation energies of native defects in an unsaturated gan nanowire grown along the [001] direction and with (100) lateral facets are studied using large-scale ab initio calculation. cation and anion vacancies, antisites, and interstitials in the neutral charge state are all considered. the configurations of these defects in the core region and outermost surface region of the nanowire are different. the atomic configurations of the defects in the core region are same as those in the bulk gan, and the formation energy is large. the defects at the surface show different atomic configurations with low formation energy. starting from a ga vacancy at the edge of the side plane of the nanowire, a n-n split interstitial is formed after relaxation. as a n site is replaced by a ga atom in the suboutermost layer, the ga atom will be expelled out of the outermost layers and leaves a vacancy at the original n site. the ga interstitial at the outmost surface will diffuse out by interstitialcy mechanism. for all the tested cases n-n split interstitials are easily formed with low formation energy in the nanowires, indicating n(2) molecular will appear in the gan nanowire, which agrees well with experimental findings. (c) 2010 american institute of physics. [doi: 10.1063/1.3476280] |
| WOS关键词 | CHEMICAL-VAPOR-DEPOSITION ; GAN NANOWIRES ; NATIVE DEFECTS ; COMPLEXES ; EPITAXY ; GROWTH ; ARRAYS |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Applied |
| 语种 | 英语 |
| WOS记录号 | WOS:000281857100109 |
| 出版者 | AMER INST PHYSICS |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2427997 |
| 专题 | 半导体研究所 |
| 通讯作者 | Wang, Zhiguo |
| 作者单位 | 1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China 2.Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China 3.Pacific NW Natl Lab, Richland, WA 99352 USA |
| 推荐引用方式 GB/T 7714 | Wang, Zhiguo,Li, Jingbo,Gao, Fei,et al. Defects in gallium nitride nanowires: first principles calculations[J]. Journal of applied physics,2010,108(4):6. |
| APA | Wang, Zhiguo,Li, Jingbo,Gao, Fei,&Weber, William J..(2010).Defects in gallium nitride nanowires: first principles calculations.Journal of applied physics,108(4),6. |
| MLA | Wang, Zhiguo,et al."Defects in gallium nitride nanowires: first principles calculations".Journal of applied physics 108.4(2010):6. |
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来源：半导体研究所
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