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)
a College of Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China; bPhysics Laboratory Center, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China; cInterdisciplinary Center of Theoretical Studies and Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing 100190, China
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.
Received: 16 November 2007
Revised: 25 March 2008
Accepted manuscript online:
Fund: 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
Cite this article:
Yang Yu-Rong(杨玉荣), Yan Xiao-Hong(颜晓红), Guo Zhao-Hui(郭朝晖), and Deng Yu-Xiang(邓宇翔) Common electronic band gaps and similar optical properties of ZnO nanotubes 2008 Chin. Phys. B 17 3433
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