中国物理B ›› 2008, Vol. 17 ›› Issue (9): 3433-3437.doi: 10.1088/1674-1056/17/9/048

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Common electronic band gaps and similar optical properties of ZnO nanotubes

郭朝晖1, 邓宇翔1, 颜晓红2, 杨玉荣3   

  1. (1)College of Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China; (2)College of Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China;Interdisciplinary Center of Theoretical Studies and Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing 100190, China; (3)College of Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China;Physics Laboratory Center, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China
  • 收稿日期:2007-11-16 修回日期:2008-03-25 出版日期:2008-09-08 发布日期:2008-09-08
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No 10674070) and the Program for New Century Excellent Talents in University, China (Grant No NCET-04-0779), and Changjiang Scholars and Innovative Research Team in University, C

Common electronic band gaps and similar optical properties of ZnO nanotubes

Yang Yu-Rong(杨玉荣)a)b), Yan Xiao-Hong(颜晓红)a)c)†, Guo Zhao-Hui(郭朝晖)a), and Deng Yu-Xiang(邓宇翔)a)   

  1. a College of Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China; b Physics Laboratory Center, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China; c Interdisciplinary Center of Theoretical Studies and Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing 100190, China
  • Received:2007-11-16 Revised:2008-03-25 Online:2008-09-08 Published:2008-09-08
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No 10674070) and the Program for New Century Excellent Talents in University, China (Grant No NCET-04-0779), and Changjiang Scholars and Innovative Research Team in University, C

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摘要： Electronic and optical properties of single-walled zinc oxide (ZnO) nanotubes are investigated from the first-principles calculations. Electronic structure calculations show that ZnO nanotubes are all direct band gap semiconducting nanotubes and the band gaps are relatively insensitive to the diameter and chirality of tubes. The origin of the common electronic band gaps of ZnO nanotubes is explained in terms of band-folding from the two-dimensional band structure of graphite-like sheet. Moreover, the optical properties such as dielectric function and energy loss function spectra of different ZnO nanotubes are very similar, relatively independent of diameter and chirality of tubes. The calculated dielectric function and loss function spectra show a moderate optical anisotropy with respect to light polarization.

关键词: nanotubes, first-principles calculations, optical constants

Abstract: Electronic and optical properties of single-walled zinc oxide (ZnO) nanotubes are investigated from the first-principles calculations. Electronic structure calculations show that ZnO nanotubes are all direct band gap semiconducting nanotubes and the band gaps are relatively insensitive to the diameter and chirality of tubes. The origin of the common electronic band gaps of ZnO nanotubes is explained in terms of band-folding from the two-dimensional band structure of graphite-like sheet. Moreover, the optical properties such as dielectric function and energy loss function spectra of different ZnO nanotubes are very similar, relatively independent of diameter and chirality of tubes. The calculated dielectric function and loss function spectra show a moderate optical anisotropy with respect to light polarization.

Key words: nanotubes, first-principles calculations, optical constants

中图分类号:  (Nanotubes)

  • 78.67.Ch
71.15.-m (Methods of electronic structure calculations) 73.22.-f (Electronic structure of nanoscale materials and related systems) 78.20.Ci (Optical constants (including refractive index, complex dielectric constant, absorption, reflection and transmission coefficients, emissivity))