| First-principles study of the electronic and optical properties of ZnO nanowires | |
| Zhang Fu-Chun1,2,3; Zhang Zhi-Yong4; Zhang Wei-Hu1,2,3; Yan Jun-Feng4; Yong Jiang-Ni4 | |
| 作者部门 | 研究生部 |
| 2009-06-01 | |
| 发表期刊 | CHINESE PHYSICS B
 |
| ISSN | 1674-1056 |
| 卷号 | 18期号:6页码:2508-2513 |
| 产权排序 | 1 |
| 摘要 | The geometric, energetic, electronic structures and optical properties of ZnO nanowires (NWs) with hexagonal cross sections are investigated by using the first-principles calculation of plane wave ultra-soft pseudo-potential technology based on the density functional theory (DFT). The calculated results reveal that the initial Zn-O double layers merge into single layers after structural relaxations, the band gap and binding energies decrease with the increase of the ZnO nanowire size. Those proper-ties show great dimension and size dependence. It is also found that the dielectric functions of ZnO NWs have different peaks with respect to light polarization, and the peaks of ZnO NWs exhibit a significant blueshift in comparison with those of bulk ZnO. Our results gives some reference to the thorough understanding of optical properties of ZnO, and also enables more precise monitoring and controlling during the growth of ZnO materials to be possible. |
| 文章类型 | Article |
| 关键词 | Density Functional Theory Zno Nanowires Electronic Structure Optical Properties |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 收录类别 | SCI ; EI |
| 关键词[WOS] | HIGH-QUALITY ZNO ; FIELD-EMISSION ; OXIDE ; NANOSTRUCTURES ; PARAMETERS ; NANOBELTS ; GROWTH ; DIODE ; FILMS |
| 语种 | 英语 |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Multidisciplinary |
| WOS记录号 | WOS:000266577300065 |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.opt.ac.cn/handle/181661/11613 |
| 专题 | 研究生部 |
| 作者单位 | 1.Chinese Acad Sci, Xian Inst Opt & Precis Mech, Xian 710068, Peoples R China 2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China 3.Yanan Univ, Coll Phys & Elect Informat, Shaanxi Yanan 716000, Peoples R China 4.NW Univ Xian, Informat Sci & Technol Inst, Xian 710127, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang Fu-Chun,Zhang Zhi-Yong,Zhang Wei-Hu,et al. First-principles study of the electronic and optical properties of ZnO nanowires[J]. CHINESE PHYSICS B,2009,18(6):2508-2513. |
| APA | Zhang Fu-Chun,Zhang Zhi-Yong,Zhang Wei-Hu,Yan Jun-Feng,&Yong Jiang-Ni.(2009).First-principles study of the electronic and optical properties of ZnO nanowires.CHINESE PHYSICS B,18(6),2508-2513. |
| MLA | Zhang Fu-Chun,et al."First-principles study of the electronic and optical properties of ZnO nanowires".CHINESE PHYSICS B 18.6(2009):2508-2513. |
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| 文件名称/大小 | 文献类型 | 版本类型 | 开放类型 | 使用许可 | ||
| First-principles stu（1853KB） | 期刊论文 | 出版稿 | 限制开放 | CC BY-NC-SA | 请求全文 | |
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