Common electronic band gaps and similar optical properties of ZnO nanotubes |
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Authors: | Yang Yu-Rong Yan Xiao-Hong Guo Zhao-Hui and Deng Yu-Xiang |
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Institution: | [1]College of Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China; [2]Physics Laboratory Center, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China; [3]Interdisciplinary Center of Theoretical Studies and Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing 100190, China |
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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. |
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Keywords: | nanotubes first-principles
calculations optical constants |
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