INVESTIGATION OF LATTICE CONSTANTS AND ELASTIC MODULI OF YTTRIA-DOPED CERIA CRYSTAL BY STATISTICAL MOMENT METHOD

Abstract

In the present study, we developed a formalism based on the statistical moment method to investigate lattice constant and elastic moduli of yttria-doped ceria crystal including the anharmonicity effects of thermal lattice vibrations. The lattice constant and  elastic moduli are calculated as functions of the dopant concentration, temperature, and pressure. We calculate the elastic moduli under temperature up to 1800K and pressure up to 60GPa using Buckingham potential. Our calculations are compared with theoretical and experimental results