含有2个五边形-七边形缺陷对的 单壁碳纳米管的电学性能

来源期刊：中南大学学报(自然科学版)2003年第5期

论文作者：张丽芳 胡慧芳 汪小知 梁君武

文章页码：510 - 512

关键词：碳纳米管;拓扑缺陷;电子态密度;同质结;异质结

Key words：carbon nanotube; topological defect; densities of states of the electronic; homojuction; heterojuction

摘    要：在紧束缚近似基础上,应用扩展的Su-Schriffer-Heeger(SSH)模型,在实空间研究了1根完整“之之”碳管管壁中沿周长方向并排引入2个五边形-七边形拓扑缺陷对所形成的同质结的电学性能;计算了(9,0)-(9,0)和(8,0)-(8,0)系统的电子态密度,对五边形-七边形缺陷对在碳管中沿轴向依次排列和沿周长方向并排放置时的电子态密度进行了比较.研究结果表明:五边形-七边形(5/7)拓扑缺陷对决定费米能级附近的电学行为;拓扑缺陷不同的分布与排列方式对碳管电学性能的影响有明显差异.

Abstract: In the real space, the features of energetics and electronic properties of carbon nanotubes containing two pentagon-heptagon pairs (5/7) topological defects in the perfect hexagonal network of the zigzag configuration are studied using the extended Su-Schriffer-Heeger model. The densities of states of the (9,0)-(9,0),(8,0)-(8,0),(10,0)-(8,0),(9,0)-(6,0)system are calculated. In addition, the properties of nanotube in different arrangements of pentagon-heptagon pairs along the circumference or axis of nanotubes are compared. The results show that topological defects govern the electronic behavior around Fermi lever and the effects of differentarrangement of pentagon-heptagon pairs on carbon nanotube are remarkable.