论文部分内容阅读
引用石墨经验力常数计算碳纳米管声子色散关系时 ,必须处理由二维平面卷曲形成三维实体纳米管所引入的问题 .报道对一系列扶手椅和锯齿单壁碳纳米管计及卷曲效应的声子色散关系的计算结果 .基于实际的数值计算结果 ,以及对单壁碳纳米扶手椅、锯齿管结构的对称性分析 ,讨论了Brillouin区中心Γ点晶格振动模的分类 .
In order to calculate the phonon dispersion relationship of carbon nanotubes by using graphite experiential constants, we must deal with the problems introduced by two-dimensional planar curl formation of three-dimensional solid nanotubes.For a series of armchair and serrated single-walled carbon nanotubes, Based on the numerical results and the analysis of the symmetry of single walled carbon armchair and sawtooth structure, the classification of Γ point lattice vibration modes in the center of Brillouin area is discussed.