First-principles study of the structural, electronic, and optical properties of Ga2O3 in its monoclinic and hexagonal phases

We report the results of a comprehensive study on the structural, electronic, and optical properties of ${\mathrm{Ga}}_{2}{\mathrm{O}}_{3}$ in its ambient, monoclinic $(\ensuremath{\beta})$ and high-pressure, hexagonal $(\ensuremath{\alpha})$ phases in the framework of all-electron density functiona... View More