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中国物理学会期刊

单壁BC3纳米管晶格动力学研究

CSTR: 32037.14.aps.57.5143

Lattice dynamics of single wall BC3 nanotubes

CSTR: 32037.14.aps.57.5143
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  • 基于力常数模型计算了一系列扶手椅型、锯齿型和手性单壁BC3纳米管的声子色散关系.描述了单壁BC3纳米管结构的表征方式,比较详细地给出了其结构、对称性和晶格动力学分析.基于数值计算结果,讨论了拉曼活性模和红外活性振动模的频率与管径的关系.由分析结果做出推断,BC3纳米管的拉曼光谱和红外光谱比单壁碳纳米管更为复杂.

     

    The structures of single wall BC3 nanotubes are described in the present paper. The symmetry and lattice dynamics of single wall BC3 nanotubes are analyzed in detail. Based on the force constant model we calculate the phonon dispersion relations of single wall BC3 nanotubes with different diameters and chiralities. For Raman and infrared active modes, the diameter-dependence of vibrational frequency has been established. It can be inferred that the Raman and infrared spectra of BC3 nanotubes would be more complex than those of single carbon nanotubes.

     

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