A Theoretical Study of Raman Spectroscopy of Carbon Nanotubes and Evaluation of Energy Separation as a Function of Nanotube Diameter

K. Singh, U. Singh, L. K. Mishra
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Abstract

Using the theoretical formalism of P T Araujo et al. [Physica E, 42, 1251 (2010)] and M S Dresselhaus et al. {Phys. Rep. 409, 47 (2009)], we have theoretically studied the Raman spectroscopy of carbon nanotubes. We have evaluated separation energy between valence band and conduction band of both semiconducting and metallic nanotubes as a function of nanotube diameter. Our theoretically obtained results show that separation energy decrease with increase of diameter for both the systems. We have compared our evaluated results with the results of other theoretical workers and found that the agreement between our results with other workers are good so far trend of the results concerned. However the magnitude of our values is less than their values. We have also reported an experimental result of Raman radial breathing mode frequency as a function of reciprocal of the nanotube diameter. The measured frequency increases with reciprocal diameter. The observation is consistent with the two laser source 635nm and 785nm lasers. We have also reported an experimental result and theoretical result of transition energy Eii as a function of nanotube chiral number (n, m) for the isolated semiconducting SWNT for two laser source 635nm and 785nm. The reported both measured and evaluated are in good agreement to each other.
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碳纳米管拉曼光谱的理论研究及碳纳米管直径对能量分离的影响
P . T . Araujo et al.[物理学报,42,1251(2010)]和M . S . Dresselhaus等。[p. 409,47(2009)],我们从理论上研究了碳纳米管的拉曼光谱。我们评估了半导体和金属纳米管的价带和导带之间的分离能与纳米管直径的关系。理论计算结果表明,两种体系的分离能均随直径的增大而减小。我们将我们的评价结果与其他理论工作者的结果进行了比较,发现到目前为止,我们的结果与其他理论工作者的结果一致。然而,我们的价值比他们的价值要小。我们还报道了拉曼径向呼吸模式频率与纳米管直径倒数函数的实验结果。测量频率随直径的倒数而增加。观测结果与635nm和785nm两种激光源一致。我们还报道了在635nm和785nm两个激光源下分离的半导体SWNT的过渡能Eii与纳米管手性数(n, m)的函数关系的实验结果和理论结果。所报告的测量值和评价值相互吻合良好。
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