| 含有五元环-七元环缺陷的单壁纳米碳管的能带结构分析 |
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| 引用本文： | 戴剑锋,戴彤,王伟.含有五元环-七元环缺陷的单壁纳米碳管的能带结构分析[J].兰州理工大学学报,2008,34(2):164-168. |
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| 作者姓名： | 戴剑锋 戴彤 王伟 |
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| 作者单位： | 兰州理工大学,理学院,甘肃,兰州,730050 |
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| 摘 要： | 运用第一性原理的计算方法结合非平衡格林函数(NEGF)和密度泛函理论(DFT)计算带有五元环-七元环拓扑缺陷对的单壁纳米碳管(SWNTs)的输运性质,同时计算(7,0)-(8,0)和(8,0)-(9,0)两种不同类型的纳米碳管异质结的能带结构并比较其与理想(7,0)、(8,0)、(9,0)碳管的不同.结果表明:五元环-七元环拓扑缺陷对碳管在费米能级附近的输运特性有着很大的影响;不同类型的碳管的连接方式对碳管输运性质的影响也有明显的差异.
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| 关 键 词： | 纳米碳管 输运性质 能带结构 异质结 |
Energy band analysis of SWNTs with 5-7 element loop defects |
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| DAI Jian-feng,DAI Tong,WANG Wei.Energy band analysis of SWNTs with 5-7 element loop defects[J].Journal of Lanzhou University of Technology,2008,34(2):164-168. |
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| Authors: | DAI Jian-feng DAI Tong WANG Wei |
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| Abstract: | The computation method of first principle as well as non-equilibrium Green function(NEGF) and density functional theory(DFT) were used to determine the transmission property of single walled carbon nanotubes with 5-7 element loop defects.As a result,the energy band structures of the(7,0)-(8,0) and(8,0)-(9,0) SWNTs' heterojunctions were calculated and compared to those of ideal(7,0),(8,0),(9,0) SWNTs.The result showed that the 5-7 element loop topological defect had great influence on the transmission characteristics of the carbon tubes near the nanometer energy level;and different junction mode could evidently affect the difference in transmission property of electrons. |
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| Keywords: | carbon nanotubes transmission property energy band structure heterogeneity junctions |
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