The radial breathing mode of carbon nanotubes

被引:14
作者
Longhurst, MJ [1 ]
Quirke, N [1 ]
机构
[1] Univ London Imperial Coll Sci Technol & Med, Dept Chem, Kensington SW7 2AY, England
关键词
reactive empirical bond order potential; radial breathing mode;
D O I
10.1080/08927020412331308520
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We report an extensive set of results for the radial breathing modes (RBM) of infinite and finite length single walled carbon nanotubes using the second generation reactive empirical bond order potential (REBO) developed by Brenner et al. As expected, the frequency, nu of the RBM is inversely proportional to the nanotube radius, R-0 , nu=alpha/ R-0. We find two different linear fits to the data, one for zigzag tubes (3.25 THz nm) and one for armchair tubes (alpha=3.18 THz nm). For finite tubes, the RBM rapidly approaches the infinite length value for nanotubes greater than 5 nm in length.
引用
收藏
页码:135 / 141
页数:7
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