The Study of Electronic Density of States and Optical Properties of ZnO Nanotube by First-Principles

Abstract:

In this paper, we studied the electronic density of states (DOS) and optical properties ZnO using first-principles method. We find that the electronic density of states was different in bulk ZnO and ZnO nanotube. The DOS of bulk ZnO spread at wide energy while the DOS of ZnO nanotube concentrated in a narrow energy range. The peak around-18 eV moved to a higher energy. The peaks more than Fermi level concentrated to the Fermi level, which meant the conductivity of ZnO nanotube was better than that of bulk ZnO. We also calculated the optical properties of ZnO nanotube. The optical properties showed that there were peaks around 8 eV, which may come from electrons transition between Zn 3d and O 2p states. Our calculation provided a reference for the application of ZnO nanotube in optical devices.

• Periodical: Applied Mechanics and Materials (Volumes 713-715)
• Pages: 2966-2969
• DOI: https://doi.org/10.4028/www.scientific.net/AMM.713-715.2966
• Online since: January 2015
• Authors: Yue Fan*, Shao Chang Chen
• Keywords: Calculation, First-Principles, Optical Properties, ZnO Nanotube

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