Structural, electronic, and optical properties of GaInO3: A hybrid density functional study

Abstract

The structural, electronic, and optical properties of GaInO3 have been studied by first-principles calculations based on Heyd-Scuseria-Ernzerhof hybrid functional theory. The optical properties, including the optical reflectivity, refractive index, extinction coefficient, absorption coefficient, and electron energy loss are discussed for radiation up to 60 eV together with the calculated electronic structure. Our results predicted that GaInO3 displays good transparency over the whole vision region, which is in good agreement with the experimental data available in the literature.