Buckling-induced band-gap modulation in zigzag carbon nanotubes
Buckling-induced band-gap modulation in zigzag carbon nanotubes
复制标题
锯齿形碳纳米管中屈曲引起的带隙调制
DOI：
10.1103/physrevb.100.155116
复制
发表时间：
2019
影响因子：
3.7
通讯作者：
Shima Hiroyuki
中科院分区：
文献类型：
--
作者：
Umeno Yoshitaka;Sato Masanobu;Sato Motohiro;Shima Hiroyuki
采用分子动力学模拟方法研究了轴向压缩对单壁碳纳米管电子带隙的影响。超过临界压应变水平后，根据系统的长径比，会发生三类屈曲模式。在这三种类型中，发现两种不同的壳屈曲模式在屈曲阈值附近的轴向压缩下产生不同的带隙调制行为。本文还讨论了在设计纳米管机电器件时，利用壳体屈曲诱导间隙调制的潜在优势。
The alteration of the electronic band gap induced by axial compression of single-wall carbon nanotubes was investigated using molecular dynamics simulation. Beyond a critical level of compressive strain, three classes of buckling modes take place depending on the aspect ratio of the system. Among these three classes, two different shell-buckling modes are found to yield contrasting band-gap modulation behavior as a response to axial compression near the buckling threshold. The potential advantage of using shell buckling to induce gap modulations when designing nanotube-based electromechanical devices is also discussed.