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文章首次尝试了使用Tersoff的共价键公式用于研究单壁碳纳米管的晶格动力学性质,在文中为了便于收集数据及对照,选择了已有报道的扶手椅型单壁碳纳米管(10,10)为对象进行了计算。计算证明用该方法得到的结果与实验数据符合得非常理想。
The first attempt to use the covalent bond formula of Tersoff was used to study the lattice dynamics of single-walled carbon nanotubes (MWCNTs). In order to facilitate data collection and control, we selected the reported single-walled carbon nanotubes 10,10) for the object was calculated. Calculations show that the results obtained by this method are in good agreement with the experimental data.