| C/SiC纳米管异质结电子结构的第一性原理研究 |
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| 引用本文： | 朱兴华,张海波,杨定宇,王治国,祖小涛.C/SiC纳米管异质结电子结构的第一性原理研究[J].物理学报,2010,59(11):7961-7965. |
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| 作者姓名： | 朱兴华 张海波 杨定宇 王治国 祖小涛 |
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| 作者单位： | (1)成都信息工程学院光电技术学院,成都 610225; (2)成都信息工程学院光电技术学院,成都 610225;电子科技大学物理电子学院,成都 610054; (3)电子科技大学物理电子学院,成都 610054 |
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| 基金项目： | 国家自然科学基金(批准号:10704014,50902012)和四川省青年基金(批准号:09ZQ026-029)资助的课题. |
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| 摘 要： | 采用基于密度泛函理论的第一性原理计算,对扶手椅型(4,4)和(6,6)及锯齿型(8,0)和(10,0)C/SiC纳米管异质结的电子结构进行了研究.结果表明两类异质结结构都表现为半导体特性.扶手椅型纳米管异质结形成了Ⅰ型异质结,电子和空穴都限制在碳纳米管部分.锯齿型纳米管异质结中价带顶主要分布在碳纳米管部分及C/SiC界面处,而导带底均匀分布在整个纳米管异质结上.这两种异质结结构在未来纳米器件中具有潜在的应用价值.
关键词：
C/SiC纳米管异质结
第一性原理
电子结构
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| 关 键 词： | C/SiC纳米管异质结 第一性原理 电子结构 |
| 收稿时间： | 1/8/2010 12:00:00 AM |
First principles study of electronic properties of carbon/silicon carbide nanotube heterojunction |
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| Zhu Xing-Hua,Zhang Hai-Bo,Yang Ding-Yu,Wang Zhi-Guo,Zu Xiao-Tao.First principles study of electronic properties of carbon/silicon carbide nanotube heterojunction[J].Acta Physica Sinica,2010,59(11):7961-7965. |
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| Authors: | Zhu Xing-Hua Zhang Hai-Bo Yang Ding-Yu Wang Zhi-Guo Zu Xiao-Tao |
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| Institution: | School of Optoelectronic Technology, Chengdu University of Information Technology, Chengdu 610225, China;Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, China;School of Optoelectronic Technology, Chengdu University of Information Technology, Chengdu 610225, China;School of Optoelectronic Technology, Chengdu University of Information Technology, Chengdu 610225, China;Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, China;Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, China |
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| Abstract: | Using the first-principles method, the electronic properties of the armchair and the zigzag C/SiC nanotube heterojunctions are investigated. Both heterjunctions exhibit semiconducting behaviors with a direct energy band. For the armchair heterojunction, type I heterojection is formed at the interface between the C and the SiC nanotubes, and the electrons and holes are confined in the C nanotube part. In the zigzag heterojunction, the electrons are localized in the C nanotube part, whereas the holes are distributd in the heterojunction uniformly. These heterojunctions can be good candidates for the future nano-devices. |
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| Keywords: | carbon/silicon carbide nanotube heterojunction first principles electronic properties |
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