Electronic Structure of High-Pressure Alumina Polymorphs

作     者：LIU Xiao-Lei DUAN Wen-Hui GU Bing-Lin 刘小雷;段文晖;顾秉林

作者机构：Department of PhysicsTsinghua UniversityBeijing 100084 

出 版 物：《Chinese Physics Letters》 (中国物理快报（英文版）)

年 卷 期：2000年第17卷第6期

页      面：441-443页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070305[理学-高分子化学与物理] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 

主　　题：(Ⅱ) perovskite similarity 

摘      要：Electronic properties are investigated for three alumina polymorphs(corundum,Rb_(2)O_(3)(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 *** similarity in electronic properties of the polymorphs of alumina is *** effect of possible phase transitions on ruby(Cr^(+3)-doped Al_(2)O_(3))fluorescences is discussed.