Wang Yufang, Zhang Bin, Jin Qinghua, Li Baohui, Ding Datong, Cao Xuewei
Department of Physics, Nankai University, Tianjin, PR China.
Spectrochim Acta A Mol Biomol Spectrosc. 2007 Dec 31;68(5):1149-52. doi: 10.1016/j.saa.2007.01.012. Epub 2007 Jan 19.
A 3D single-wall carbon nanotube can be viewed as a 2D graphite sheet rolled into a 3D cylinder. In the study of dispersion relations of carbon nanotubes, the consistent force parameters for 2D graphite sheets have to be modified to include the curvature effect. The present paper reports a series of calculations of phonon dispersion relations for single-wall carbon armchair, zigzag nanotube in which the curvature effect has been properly treated. The symmetry of crystal vibration mode at the centre of Brillouin zone is analyzed based on our numeric results and the structure symmetry of the nanotubes.
三维单壁碳纳米管可看作是由二维石墨片卷成的三维圆柱体。在研究碳纳米管的色散关系时，必须对二维石墨片的一致力参数进行修正，以考虑曲率效应。本文报道了一系列对单壁扶手椅型、锯齿型碳纳米管声子色散关系的计算，其中已适当考虑了曲率效应。基于我们的数值结果和纳米管的结构对称性，分析了布里渊区中心晶体振动模式的对称性。
