中国物理B ›› 2008, Vol. 17 ›› Issue (8): 3123-3129.doi: 10.1088/1674-1056/17/8/059

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The rehybridization of electronic orbitals in carbon nanotubes

王 慧1, 欧阳玉2, 彭景翠2, 彭志华2   

  1. (1)College of Science, Guangdong Ocean University, Zhanjiang 524088, China; (2)School of Applied Physics and Microelectronic, Hunan University, Changsha 410082, China
  • 收稿日期:2007-10-16 修回日期:2008-01-07 出版日期:2008-08-20 发布日期:2008-08-20
  • 基金资助:
    Project supported by the Specialized Research Fund of Doctoral Program of Higher Education of China (Grant No 20030532008).

The rehybridization of electronic orbitals in carbon nanotubes

Ouyang Yu(欧阳玉)a)†, Peng Jing-Cui(彭景翠)a), Wang Hui(王慧)b), and Peng Zhi-Hua(彭志华)a)   

  1. a School of Applied Physics and Microelectronic, Hunan University, Changsha 410082, China; b College of Science, Guangdong Ocean University, Zhanjiang 524088, China
  • Received:2007-10-16 Revised:2008-01-07 Online:2008-08-20 Published:2008-08-20
  • Supported by:
    Project supported by the Specialized Research Fund of Doctoral Program of Higher Education of China (Grant No 20030532008).

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摘要： Rehybridization of electronic orbitals in carbon nanotubes contains tilting angles of $\pi $ orbital, electrons wavefunctions of $\pi $ orbital and $\sigma $ orbital, degrees of hybridization, etc. In this paper, we have obtained analytical formulas of tilting angle of $\pi $ orbital relative to tube surface, electrons wavefunctions of $\pi $ orbital and $\sigma $ orbital, degrees of hybridization, separately, as well as the numerical results.

关键词: carbon nanotube, curvature effect, rehybridization of orbitals, degree of hybridization

Abstract: Rehybridization of electronic orbitals in carbon nanotubes contains tilting angles of $\pi $ orbital, electrons wavefunctions of $\pi $ orbital and $\sigma $ orbital, degrees of hybridization, etc. In this paper, we have obtained analytical formulas of tilting angle of $\pi $ orbital relative to tube surface, electrons wavefunctions of $\pi $ orbital and $\sigma $ orbital, degrees of hybridization, separately, as well as the numerical results.

Key words: carbon nanotube, curvature effect, rehybridization of orbitals, degree of hybridization

中图分类号:  (Electronic structure of nanoscale materials and related systems)

  • 73.22.-f
73.20.At (Surface states, band structure, electron density of states)