Defect-induced optical absorption in the visible range in ZnO nanowires
- 17 November 2009
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 80 (19), 195314
- https://doi.org/10.1103/physrevb.80.195314
Abstract
The optical properties of ZnO nanowires containing defects are investigated using first-principles density-functional theory incorporating the formalism. Calculations include defects in the form of substitutional N, Zn, and O vacancies as well as charged O vacancy. Our calculations reveal that the presence of vacancies contribute strongly to optical absorption in the visible. Furthermore, the presence of charged O vacancy is found to result in a blueshift of the absorption peaks, reducing the number of wavelengths that can be absorbed in the visible. These findings can be a useful tool for the design of new generation of materials with improved solar radiation absorption.
Keywords
This publication has 16 references indexed in Scilit:
- Codoping: A possible pathway for inducing ferromagnetism in ZnOPhysical Review B, 2008
- Theoretical Description of Carrier Mediated Magnetism in Cobalt Doped ZnOPhysical Review Letters, 2008
- Origin of green luminescence of ZnO powders reacted with carbon blackJournal of Applied Physics, 2007
- Correlation between the photoluminescence lifetime and defect density in bulk and epitaxial ZnOApplied Physics Letters, 2003
- Origins of Coexistence of Conductivity and Transparency inPhysical Review Letters, 2002
- Photoluminescence and cathodoluminescence studies of stoichiometric and oxygen-deficient ZnO filmsApplied Physics Letters, 2001
- Optical gain in silicon nanocrystalsNature, 2000
- Optical Gain and Stimulated Emission in Nanocrystal Quantum DotsScience, 2000
- Study on Electronic Structure and Optoelectronic Properties of Indium Oxide by First-Principles CalculationsJapanese Journal of Applied Physics, 1997
- Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative DiscontinuitiesPhysical Review Letters, 1983