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| 锯齿型单壁与双壁碳纳米管电子学特性比较研究 | |
| 引用本文： | 田红灯,王畅,王利光,TERENCE K.S.W..锯齿型单壁与双壁碳纳米管电子学特性比较研究[J].黑龙江大学自然科学学报,2009,26(1). |
| 作者姓名： | 田红灯 王畅 王利光 TERENCE K.S.W. |
| 作者单位： | 1. 江南大学理学院,无锡,214122 2. 黑龙江八一农垦大学理学院,大庆,163319 3. 新加坡南洋理工大学电气与电子工程学院,新加坡,639798 |
| 基金项目： | 国家重点基础研究发展规划(973计划)，江苏省自然科学基金，教育部国际合作研究项目 |
| 摘 要： | 采用基于广义梯度近似(GCA)的密度泛函理论中的简化广义梯度近似方法(PBE)分别对(6,0)和(15,0)锯齿型单壁碳纳米管(SWCNT)和双壁碳纳米管(DWCNT)的能带和态密度进行了计算,并对所得结果进行了比较,发现了单壁与双壁碳纳米管之间的电子学异同点.通过比较发现,虽然双壁碳纳米管和单壁碳纳米管具有相似的能带结构,但是双壁碳纳米管的能隙较单壁碳纳米管的能隙要小,这说明双壁碳纳米管的电子输运性能要远优于单壁碳纳米管. |
| 关 键 词： | 单壁碳纳米管 双壁碳纳米管 能带 态密度 密度泛函理论 |
Comparison of electronic characteristic between zigzag SWCNT and DWCNT |
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| TIAN Hong-deng,WANG Chang,WANG Li-guang,TERENCE K.S.W..Comparison of electronic characteristic between zigzag SWCNT and DWCNT[J].Journal of Natural Science of Heilongjiang University,2009,26(1). | |
| Authors: | TIAN Hong-deng WANG Chang WANG Li-guang TERENCE KSW |
| Institution: | 1.School of Science;Jiangnan University;Wuxi 214122;China;2.College of Science;Heilongjiang August First Land Reclamation University;Daqing 163319;3.School of Electrical and Electronic Engineering;Nanyang Technological University;Singapore 639798;China |
| Abstract: | The Perdew Burke Ernzerhof(PBE) method which is included in the density functional theory based on generalized gradient approximation(GGA) is adopted to calculate the energy band and density of state of zigzag SWCNT and DWCNT.The different electronic characteristics are found by comparison between the SWCNT and the DWCNT.The energy gap of the DWCNT is narrower although the SWCNT's energy band of is similar to the DWCNT's.It means that the electronic transport property of DWCNT is much better than one of the... |
| Keywords: | single-walled carbon nanotube double-walled carbon nanotube energy band density of state density functional theory |
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