Wang Yufang, Wu Yanzhao, Feng Min, Wang Hui, Jin Qinghua, Ding Datong, Cao Xuewei
College of Physics, Nankai University, 94 Weijin Road, Tianjin 300071, PR China.
Spectrochim Acta A Mol Biomol Spectrosc. 2008 Dec 1;71(3):1102-5. doi: 10.1016/j.saa.2008.03.009. Epub 2008 Mar 20.
With a simple method-the reduced matrix method, we simplified the calculation of the phonon vibrational frequencies according to SWNTs structure and their phonon symmetric property and got the dispersion properties of all SWNTs at Gamma point in Brillouin zone, whose diameters lie between 0.6 and 2.5 nm. The calculating time is shrunk about 2-4 orders. A series of the dependent relationships between the diameters of SWNTs and the frequencies of Raman and IR active modes are given. Several fine structures including "glazed tile" structures in omega approximately d figures are found, which might predict a certain macro-quantum phenomenon of the phonons in SWNTs.
通过一种简单的方法——约化矩阵法，我们根据单壁碳纳米管（SWNTs）的结构及其声子对称性质简化了声子振动频率的计算，并得到了布里渊区中Γ点处所有直径在0.6至2.5纳米之间的单壁碳纳米管的色散特性。计算时间缩短了约2 - 4个数量级。给出了一系列单壁碳纳米管直径与拉曼和红外活性模频率之间的依赖关系。在ω - d图中发现了包括“琉璃瓦”结构在内的几种精细结构，这可能预示着单壁碳纳米管中声子的某种宏观量子现象。
