https://scholars.lib.ntu.edu.tw/handle/123456789/73411
標題: | Band gap modification of single-walled carbon nanotube and boron nitride nanotube under a transverse electric field | 作者: | Chen, Chun-Wei Lee, Ming-Hsien Clark, S.J. |
公開日期: | 18-十一月-2004 | 出版社: | Taipei:National Taiwan University Dept Material Sci & Engn | 卷: | 15 | 期: | 2004 | 起(迄)頁: | - | 來源出版物: | Nanotechnology | 摘要: | The electronic structures of carbon (C) and boron nitride (BN) nanotubes under a transverse electric field were investigated through the first-principles pseudopotential density-functional theory (DFT) calculations. It was found that band gap modifications occur both in the semiconducting C and BN nanotubes under an external electric field by inducing a semiconductor–metal transition. The variations of the band gap sizes with transverse electric fields are very different between C and BN nanotubes. In the semiconducting C nanotube, a sharp semiconductor–metal transition does not occur until a threshold electric field is achieved; the BN nanotube, on the other hand, shows a gradual reduction of the band gap size once an external electric field is applied due to the larger ionicity of BN bonds. In addition, the semiconductor–metal transition in both C and BN nanotubes occurs at a lower value of electric field with increasing diameter. The ability to tune the band gap in both C and BN nanotubes by an external electric field provides the possibility for future electronic and electro-optic nanodevice applications. |
URI: | http://ntur.lib.ntu.edu.tw//handle/246246/2006111501211839 | 其他識別: | 246246/2006111501211839 |
顯示於: | 材料科學與工程學系 |
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