First-Principles Study on Optical Properties of Cd-Doped Single-Walled (8, 0) ZnO Nanotube

Yi Wu; Jian Cheng Huang; You Chao Cui; Shu Kai Zheng

doi:10.4028/www.scientific.net/AMM.668-669.27

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HomeApplied Mechanics and MaterialsApplied Mechanics and Materials Vols. 668-669First-Principles Study on Optical Properties of...

First-Principles Study on Optical Properties of Cd-Doped Single-Walled (8, 0) ZnO Nanotube

Abstract:

The band structures, density of states, and absorption spectra of pure and Cd doped single-walled (8, 0) ZnO nanotubes are calculated using first-principles based on density functional theory. The calculation results show that the import of Cd leads a remarkable decrease to the forbidden bandwidth of ZnO. Consequently, more electrons in the valence band can be motivated to the conduction band by the visible light, which results in a further enhancement of visible light absorption and a wider absorption range.