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- Title
First-principles study on the electronic structure and optical properties of GaAs nanowires.
- Authors
Wei, Xiang-Hai; Gao, Tao; Wan, Lei; Lu, Peng-Fei
- Abstract
The electronic structure and optical properties of wurtzite gallium arsenide (GaAs) nanowires (NWs) are investigated within the first-principles plane-wave pseudo-potential method based on the density functional theory (DFT). The calculated results show that GaAs NWs are direct band gap semiconductor and demonstrate the achievement of p-type behavior. These NWs of the electronic behavior transitions from semiconductor to metal after hydrogen-passivated. The complex dielectric function, absorption coefficient and optical reflectivity are calculated and the peak position distributions of imaginary parts of the complex dielectric function have been explained. We may conclude GaAs NWs belongs to what crystal system through the dielectric tensors. Optical reflectivity is obtained and the peak position distributions of imaginary parts of the complex dielectric function have been explained, and their absorption spectra are sensitive to the large radius of GaAs NWs.
- Subjects
ELECTRONIC structure; OPTICAL properties of gallium arsenide; NANOWIRES; PSEUDOPOTENTIAL method; DENSITY functional theory; SEMICONDUCTORS
- Publication
International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2015, Vol 29, Issue 4, p-1
- ISSN
0217-9792
- Publication type
Article
- DOI
10.1142/S0217979215500149