Empirical prediction of optical transitions in metallic armchair SWCNTs

G. R. Ahmed Jamal, S. M. Mominuzzaman
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Abstract

In this work, a quick and effective method to calculate the second and third optical transition energies of metallic armchair single wall carbon nanotubes (SWCNT) is presented. In this proposed method, the transition energy of any armchair SWCNT can be predicted directly just by knowing one of its chiral index. The predicted results are compared with recent experimental data and found to be accurate over a wide diameter range. The empirical equation proposed here is also compared with that proposed in earlier works. The proposed way may help the research works or applications where information of optical transitions of armchair metallic nanotubes is needed.
金属扶手椅SWCNTs中光学跃迁的经验预测
本文提出了一种快速有效的计算金属扶手型单壁碳纳米管(SWCNT)第二和第三光跃迁能的方法。在该方法中,只要知道任意扶手碳纳米管的一个手性指数,就可以直接预测其跃迁能。将预测结果与最近的实验数据进行了比较,发现在较宽的直径范围内预测结果是准确的。本文提出的经验方程也与前人提出的经验方程进行了比较。本文提出的方法有助于扶手椅型金属纳米管光学跃迁信息的研究工作或应用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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