Electronic Structure of High-Pressure Alumina Polymorphs

• 来源期刊: 中国物理快报（英文版）
• 年，卷（期）: 2000,（6）
• 页码范围: 441-443
• 页数: 3页
• 语种: 英文

摘要

Electronic properties are investigated for three alumina polymorphs (corundum, Rb2 O3 (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 Al2 O3)fluorescences is discussed.