Simulating Model Dielectric Functions of Dilute GaAs_1-xN_x in the Far-Infrared to Ultraviolet Wavelength Regimes

GaAs_1-xN_x/GaAs (001) (0 < x ≤ 0.037) tensile-strained epilayers are of considerable importance in optoelectronics due to their ability to offer large and resilient band structure engineering. Strain causes valence-band splitting, giant bandgap reduction and phonon frequency shifts. Optimum performance of III-V-Ns in long-wavelength lasers, infrared photodetectors, optical modulators, and multi-junction solar cells is contingent on their distinctive vibrational and optical characteristics. We report results of meticulous simulations of GaAs_1-xN_x alloys to validate Fourier transform infrared (FTIR) reflectivity and spectroscopic ellipsometry (SE) data in the far-infrared and ultraviolet regions. The FTIR spectra showed strong reflectivity peaks and dips in the reststrahlen band region, linked to the transverse optical ωTO1 and longitudinal optical ωLO1 modes of the Ga-As bond and a high-frequency ωTO2 local vibrational mode of GaAs:N. Modified dielectric functions of GaAs_1-xN_x/GaAs epilayers are carefully evaluated using an improved Adachi's semiemperical method to study the x and E-dependent optical constants. Focusing on the electronic band structures at critical points, this approach provided accurate analytical formulation to evaluate complex dielectric ε~(E) and refractive indices n~(E) for simulating reflectance spectra in a wide energy range with good agreement to the SE data.