| The first-principle calculation of electronic structure and optical properties of In2O3 | |
| Zhang Fu-Chun1,2; Zhang Zhi-Yong1,3; Zhang Wei-Hu1,2; Yan Jun-Feng3; Yun Jiang-Ni3 | |
| 作者部门 | 研究生部 |
| 2008-08-28 | |
| 发表期刊 | ACTA CHIMICA SINICA
 |
| ISSN | 1863-1868 |
| 卷号 | 66期号:16页码:1863-1868 |
| 摘要 | The electronic structures and the optical response functions of IN2O3 were calculated by using a first-principle ultra-soft pseudo-potential approach of the plane wave based upon density functional theory, and the relationships between the electronic structures and optical properties were investigated. The dielectric functions, reflectance spectra, energy-loss function Im dominated by electron inter-band transitions were analyzed in terms of the precisely calculated band structure and density of state. The properties of chemistry and physics were studied by the difference charge density. The calculated results indicate that the optical transmittance of In2O3 is higher than 85% in the visible region, and transparent conductive oxide thin films can be prepared. Furthermore, the calculated conclusions offer theoretical data for the design and application of optoelectronics materials of In2O3, and also enable more precise monitoring and controlling during the growth of In2O3 materials to be possible. |
| 文章类型 | Article |
| 关键词 | In2o3 Optical Property Electronic Structure The First-principle |
| 学科领域 | 数理科学和化学 |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 收录类别 | SCI |
| 关键词[WOS] | TIN-OXIDE-FILMS ; INDIUM ; SPECTROSCOPY ; DEPOSITION |
| 语种 | 中文 |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Multidisciplinary |
| WOS记录号 | WOS:000259244800003 |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.opt.ac.cn/handle/181661/11649 |
| 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.Yanan Univ, Coll Phys & Elect Informat, Yanan 716000, Peoples R China 3.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. The first-principle calculation of electronic structure and optical properties of In2O3[J]. ACTA CHIMICA SINICA,2008,66(16):1863-1868. |
| APA | Zhang Fu-Chun,Zhang Zhi-Yong,Zhang Wei-Hu,Yan Jun-Feng,&Yun Jiang-Ni.(2008).The first-principle calculation of electronic structure and optical properties of In2O3.ACTA CHIMICA SINICA,66(16),1863-1868. |
| MLA | Zhang Fu-Chun,et al."The first-principle calculation of electronic structure and optical properties of In2O3".ACTA CHIMICA SINICA 66.16(2008):1863-1868. |
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| The first-principle （390KB） | 期刊论文 | 出版稿 | 限制开放 | CC BY-NC-SA | 请求全文 | |
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