TITLE:
Electronic and Optical Properties of Rare Earth Oxides: Ab Initio Calculation
AUTHORS:
Sezen Horoz, Sevket Simsek, Selami Palaz, Amirullah M. Mamedov
KEYWORDS:
Rare Earth Oxides, Ab Initio Calculation, Electronic Structure, Optical Properties
JOURNAL NAME:
World Journal of Condensed Matter Physics,
Vol.5 No.2,
May
29,
2015
ABSTRACT: In this work, we have investigated the electronic and optical properties
of the technologically important rare earth oxide compounds—X2O3 (X: Gd, Tb) using the density functional theory within the GGA. The band
structure of X2O3 have 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 sesquioxides (Gd2O3 and Tb2O3) were calculated.