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手性单壁碳纳米管声子谱的计算 被引量:1

The Calculation of Phonon Spectra of Chiral Carbon Tubules
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摘要 本文对不同直径的单壁碳纳米管的声子谱进行了计算。利用碳管的对称性对其晶格动力学矩阵进行了约化,给出全部声子的频率以及振动模对称性。详细分析了布里渊区(点声子的频率与管径的依赖关系,总结出一些规律,并对其进行了分析。 In this paper, we reported the study of phonon spectra for chiral carbon nanotubes. The lattice dynamics martix can be reduced by using the symmetries of carbon nanotubes. The phonon frequencies and symmetries have been given. We analysized the diameter dependence of vibrational modes for chiral tubules in detail, from which some interesting results can be derived.
出处 《光散射学报》 2006年第3期196-199,共4页 The Journal of Light Scattering
基金 国家重点基础研究发展规划(批准号:2002CB211800) 基础研究重大项目前期研究专项基金(批准号:2001CCA05000)
关键词 碳纳米管 声子 晶格动力学 Carbon nanotube Phonon Lattice Dynamics
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参考文献7

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共引文献28

同被引文献17

  • 1LianquanGUO,ChangxiangMA,ShuaiWANG,HeMA,XinLI.Molecular Simulation of Hydrogen Adsorption Density in Single-Walled Carbon Nanotubes and Multilayer Adsorption Mechanism[J].Journal of Materials Science & Technology,2005,21(1):123-127. 被引量:2
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  • 3Anurag S,Vikash S,Kamalpreet K,et al.Electron Transport Properties of a Single-walled Carbon Nanotube in the Presence of Hydrogen Cyanide:First-principles Analysis. Journal of Molecular Modeling . 2015
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  • 7Hu, Liangbing,Hecht, David S.,Grüner, George.Carbon nanotube thin films: Fabrication, properties, and applications. Chemical Reviews . 2010
  • 8Luo F S,Shao Q Y,Zhang L X,Zhang J A,et al.Boron/phosphorus Co-doping in Zigzag Single-walled Carbon Nanotubes:A First-principles Study. Modern Physics Letters A . 2013
  • 9H. Tashakori,B. Khoshnevisan,F. Kanjuri.??Ab initio systematic study of chirality effects on phonon spectra, mechanical and thermal properties of narrow single walled carbon nanotubes(J)Computational Materials Science . 2014
  • 10Mirele Bastos,Ihosvany Camps.??First-principles calculations of nickel, cadmium, and lead adsorption on a single-walled (10,0) carbon nanotube(J)Journal of Molecular Modeling . 2014 (2)

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