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| 锯齿型单壁碳纳米管束中管间相互作用对能隙的影响 | |
| 引用本文： | 何焕典,王新强,罗强.锯齿型单壁碳纳米管束中管间相互作用对能隙的影响[J].人工晶体学报,2006,35(3):556-559,555. |
| 作者姓名： | 何焕典 王新强 罗强 |
| 作者单位： | 1. 湛江师范学院信息科技学院物理系,湛江,524048 2. 重庆大学数理学院物理系,重庆,400044 3. 西南石油大学电子信息工程学院,成都,610500 |
| 摘 要： | 本文采用基于广义梯度近似(GGA)的第一性原理方法,对锯齿型单壁碳纳米管束(7,0)、(8,0)、(9,0)、(12,0)及其相应的孤立管的能带结构和能隙进行理论计算。结果表明,各管束与相应的各孤立管相比,能隙都发生了不同程度的减小。目前尚未见有类似的报道,我们分析认为这是由于管束存在管间相互作用,电子的束缚度减小,改变了原来的能带结构,导致能隙减小。 |
| 关 键 词： | 锯齿型单壁碳纳米管 管束 能隙 广义梯度近似 |
| 文章编号： | 1000-985X（2006）03-0556-04 |
| 收稿时间： | 2005-12-12 |
| 修稿时间： | 2005-12-12 |
Effect of Intertube Coupling on the Energy Gaps of Zigzag Carbon Nanotube Ropes |
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| HE Huan-dian,WANG Xin-qiang,LUO Qiang.Effect of Intertube Coupling on the Energy Gaps of Zigzag Carbon Nanotube Ropes[J].Journal of Synthetic Crystals,2006,35(3):556-559,555. | |
| Authors: | HE Huan-dian WANG Xin-qiang LUO Qiang |
| Institution: | 1. Department of Physics, Information Technology and Science College, Zhanjiang Normal University,Zhanjiang 524048,China; 2. Department of Physics, College of Science, Chongqing University, Chongqing 400044, China; 3. School of Electronic Information Engineerlng,Southwest Petroleum University, Chengdu 610500, China |
| Abstract: | First-principles calculations within the generalized gradient approximation(GGA) are carried out on the energy gaps of both isolated zigzag SWNTs(7,0),(8,0),(9,0),(12,0) and their corresponding bundles in this paper.We found that,comparing with those of the corresponding isolated tubes,the energy gaps of selected ropes decrease,which has not been reported in the domestic journals.The analysis indicates that the intertube coupling causes the energy gaps to decrease for the electrons in the rope are less confined than those in the isolated tube. |
| Keywords: | zigzag SWNTs rope energy gaps GGA |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ | |