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A theoretical study of Al(1-x)Ga(x)N, based on full-potential linearizedaugmented plane wave method, is used to investigate the variations in thebandgap, optical properties and non-linear behavior of the compound with thevariation of Ga concentration. It is found that the bandgap decreases with theincrease of Ga in Al(1-x)Ga(x)N. A maximum value of 5.5 eV is determined forthe bandgap of pure AlN which reaches to minimum value of 3.0 eV when Al iscompletely replaced by Ga. The static index of refraction and dielectricconstant decreases with the increase in bandgap of the material, assigning ahigh index of refraction to pure GaN when compared to pure AlN. The refractiveindex drops below 1 for photon energies larger than 14 eV results groupvelocity of the incident radiation higher than the vacuum velocity of light.This astonishing result shows that at higher energies the optical properties ofthe material shifts from linear to non-linear. Furthermore, frequency dependentreflectivity and absorption coefficients show that peak value of the absorptioncoefficient and reflectivity shifts towards lower energy in the UV spectrumwith the increase in Ga concentration. This comprehensive theoretical study ofthe optoelectronic properties of the alloys is presented for the first timewhich predicts that the material can be effectively used in the optical devicesworking in the visible and UV spectrum.

Ab-initio study of the bandgap engineering of Al(1-x)Ga(x)N for optoelectronic applications