Abstract
The electronic and optical properties of As-doped GaN nanowires have been investigated using density functional theory. The energy gaps of As-doped GaN nanowires with different concentrations exhibit indirect band gaps, and the band gaps are decreasing with the increasing doping concentration. The results predicate that alloys exhibit a typical semiconductivity. Moreover, the optical properties, including the complex dielectric function, optical refractive index, energy-loss function, reflectivity, and absorption coefficient are discussed for radiation up to 30 eV. With the increase of the As-fraction, the material gradually exhibits noticeable anisotropy in the photon energy range of 0–15 eV. Quickly increases the static dielectric constant and obviously red-shifts the absorption edge. The results are in good agreement with experimental data reported previously. Furthermore, the work gives a theoretical guidance for the preparation of As-doped GaN optoelectronic nanodevices.
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Zhang, Y., Cui, Z., Ding, Y. et al. Density functional theories study on optoelectronic properties of arsenic-doped GaN nanowires. Opt Quant Electron 48, 548 (2016). https://doi.org/10.1007/s11082-016-0824-3
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DOI: https://doi.org/10.1007/s11082-016-0824-3