The calculation of energy gaps in small single-walled carbon nanotubes within a symmetry-adapted tight-binding model |
| |
Authors: | Yang Jie Dong Quan-Li Jiang Zhao-Tan and Zhang Jie |
| |
Institution: | Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China; Department of Physics, Beijing Institute of Technology, Beijing 100081, China |
| |
Abstract: | This paper studies in detail the electronic properties of the semimetallic single-walled carbon nanotubes by applying the symmetry-adapted tight-binding model. It is found that the hybridization of π–σ states caused by the curvature produces an energy gap at the vicinity of the Fermi level. Such effects are obvious for the small zigzag and chiral single-walled carbon nanotubes. The energy gaps decrease as the diameters and the chiral angles of the tubes increase, while the top of the valence band and the bottom of the conduction band of armchair tubes cross at the Fermi level. The numeral results agree well with the experimental results. |
| |
Keywords: | single-walled carbon nanotube curvature effect rehybridization of orbitals |
本文献已被 CNKI 维普 等数据库收录! |
| 点击此处可从《中国物理 B》浏览原始摘要信息 |
| 点击此处可从《中国物理 B》下载免费的PDF全文 |
|