Electronic and Optical Properties of Dy2O3: ab initio calculation

Abstract

In this work, we have investigated the electronic and optical properties of the technologically important rare earth oxide compound – Dy₂O₃ using the density functional theory within the GGA. The band structure of Dy₂O₃ has been calculated along high symmetry directions in the first Brillouin zone. The real and imaginary parts of dilectric functions and the other optical responses such as energy-loss function, the effective number of valence electrons and the effective optical dielectric constants of the rare earth sesquioxide - Dy₂O₃ were calculated.

Keywords: rare earth oxide, ab initio calculation, electronic structure, optical properties