Investigation of lattice constants and elastic moduli of yttria-doped ceria crystal by statistical moment method

In the present study, we developed a formalism based on the statistical moment method (SMM) for pure ceria crystal using the Bukingham potential for investigation of the 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. Our results predict that the lattice constant and elastic moduli decrease rapily with the pressure in agreement with experimental results (in the case pure ceria).