Electronic and optical properties ofγ-Al2O3 from ab initio theory

Abstract

We report on a density functional theory calculation of the electronic structure and optical propertiesof γ-Al2O3. We have made a comparison between the optical and electronic properties of theα and γ phases of alumina. The calculated bulk modulus of theγ phase is slightlylower than that of the α phase. The calculated static dielectric function and the optical constant of theγ phase are veryclose to those of the α phase.