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| 含空位缺陷碳化硅纳米管的电子结构和光学性质 | |
| 引用本文： | 宋久旭,杨银堂,王平,郭立新,张志勇.含空位缺陷碳化硅纳米管的电子结构和光学性质[J].半导体学报,2013,34(2):022001-5. |
| 作者姓名： | 宋久旭 杨银堂 王平 郭立新 张志勇 |
| 作者单位： | Key Laboratory of Ministry of Education for Wide Band Gap Semiconductor Materials and Devices,School of Microelectronics,Xidian University;School of Electronic Engineering,Xian Shiyou University;School of Science,Xidian University;Information Science and Technology Institution,Northwest University |
| 基金项目： | 中国博士后科学基金（No.201104619）陕西省教育厅自然科学基金（No.2010JK775）资助课题 |
| 摘 要： | Based on first-principle calculations,the electronic structures and optical properties of a single-walled (7,0) SiC nanotube(SiCNT) with a carbon vacancy defect or a silicon vacancy defect are investigated.In the three silicon atoms around the carbon vacancy,two atoms form a stable bond and the other is a dangling bond.A similar structure is found in the nanotube with a silicon vacancy.A carbon vacancy results in a defect level near the top of the valence band,while a silicon vacancy leads to the formation of three defect levels in the band gap of the nanotube.Transitions between defect levels and energy levels near the bottom of the conduction band have a close relationship with the formation of the novel dielectric peaks in the lower energy range of the dielectric function. |
| 关 键 词： | SiC nanotube vacancy defect first-principles study electronic structures optical properties |
| 收稿时间： | 7/19/2012 8:13:00 AM |
Electronic structures and optical properties of a SiC nanotube with vacancy defects |
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| Song Jiuxu,Yang Yintang,Wang Ping,Guo Lixin and Zhang Zhiyong.Electronic structures and optical properties of a SiC nanotube with vacancy defects[J].Chinese Journal of Semiconductors,2013,34(2):022001-5. | |
| Authors: | Song Jiuxu Yang Yintang Wang Ping Guo Lixin and Zhang Zhiyong |
| Affiliation: | 1. Key Laboratory of Ministry of Education for Wide Band Gap Semiconductor Materials and Devices,School of Microelectronics, Xidian University, Xi'an 710071, China;School of Electronic Engineering, Xian Shiyou University, Xi'an 710065, China 2. Key Laboratory of Ministry of Education for Wide Band Gap Semiconductor Materials and Devices,School of Microelectronics, Xidian University, Xi'an 710071, China 3. School of Science, Xidian University, Xi'an 710071, China 4. Information Science and Technology Institution, Northwest University, Xi'an 710127, China |
| Abstract: | Based on first-principle calculations, the electronic structures and optical properties of a single-walled (7, 0) SiC nanotube (SiCNT) with a carbon vacancy defect or a silicon vacancy defect are investigated. In the three silicon atoms around the carbon vacancy, two atoms form a stable bond and the other is a dangling bond. A similar structure is found in the nanotube with a silicon vacancy. A carbon vacancy results in a defect level near the top of the valence band, while a silicon vacancy leads to the formation of three defect levels in the band gap of the nanotube. Transitions between defect levels and energy levels near the bottom of the conduction band have a close relationship with the formation of the novel dielectric peaks in the lower energy range of the dielectric function. |
| Keywords: | SiC nanotube vacancy defect first-principles study electronic structures optical properties |
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