Wang Hui, Cao Xuewei, Feng Min, Wang Yufang, Jin Qinghua, Ding Datong, Lan Guoxiang
School of Science, Henan University of Science and Technology, Luoyang 471003, China.
Spectrochim Acta A Mol Biomol Spectrosc. 2009 Jan;71(5):1932-7. doi: 10.1016/j.saa.2008.07.032. Epub 2008 Aug 3.
Using a symmetry-based force-constant model of the lattice dynamics, the Raman-active phonon frequencies are calculated for almost 200 single-wall nanotubes of C, BN and BC(3). The n+m=constant family behaviour is found in most branches and these three kinds of nanotubes display different diameter and chirality dependence in different branches. In these branches, vibration modes that C, BN and BC(3) nanotubes have in common are presented in detail. For a particular family, the phonon frequency at Gamma point changes regularly with the chiral angle. Therefore, we may distinguish among single-wall nanotubes with similar diameter and different chiral angle.
利用基于对称性的晶格动力学力常数模型,计算了近200种C、BN和BC(3)单壁纳米管的拉曼活性声子频率。在大多数分支中发现了n + m =常数的族行为,并且这三种纳米管在不同分支中表现出不同的直径和手性依赖性。在这些分支中,详细介绍了C、BN和BC(3)纳米管共有的振动模式。对于特定的族,Γ点处的声子频率随手性角有规律地变化。因此,我们可以区分直径相似但手性角不同的单壁纳米管。