论文标题
理论证据表明，由于层相互作用，双壁碳纳米管的电子结构进行了重大修改
Theoretical evidence of a significant modification of the electronic structure of double-walled carbon nanotubes due to the interlayer interaction
论文作者
论文摘要
最近报道的双壁碳纳米管的实验光谱显示出比仅基于这些层的预期的峰值更多的峰值。多余峰的出现归因于层间相互作用。为了阐明多余峰的起源，我们使用具有非正交紧密结合基础函数的递归方法对特定纳米管的光学吸收进行计算。我们的研究表明，层间相互作用可以引起该纳米管的电子结构的重大变化，这表现出了光学转变和新光学转变的外观的移动。发现派生的吸收光谱与可用的实验数据非常吻合，这证明了提议的双壁碳纳米管的使用是合理的。
The recently reported experimental optical spectra of double-walled carbon nanotubes exhibit more peaks than it could be expected based on the layers alone. The appearance of excess peaks has been attributed to the interlayer interaction. In order to elucidate the origin of the excess peaks, we perform calculations of the optical absorption of a particular nanotube using the recursion method with non-orthogonal tight-binding basis functions. Our study shows that the interlayer interaction can give rise to major changes in the electronic structure of this nanotube, manifesting themselves with shifts of the optical transitions and appearance of new optical transitions. The derived absorption spectrum is found to be in excellent agreement with the available experimental data, which justifies the use of the proposed approach for double-walled carbon nanotubes.
