Electronic Structure of High-pressure Alumina Polymorphs

Electronic properties are investigated for three alumina polymorphs (corundum, Rh₂O₃ (II) and Pbnm perovskite), which are predicted as the stable structures under different pressure range, by means of the first-principles molecular dynamics method within local density functional framework. The similarity in electronic properties of the polymorphs of alumina is observed. The effect of possible phase transitions on ruby (Cr⁺³-doped Al₂O₃) fluorescences is discussed.