Abstract
The purpose of the present paper is to investigate the temperature and pressure dependences of the elastic properties of cerium dioxide using the statistical moment method (SMM). The equation of states of bulk CeO 2 is derived from the Helmholtz free energy, and the pressure dependences of the elastic moduli like the bulk modulus, B T , shear modulus, G, Young’s modulus, E, and elastic constants ( C11, C12, and C44) are presented taking into account the anharmonicity effects of the thermal lattice vibrations. In the present study, the influence of temperature and pressure on the elastic moduli and elastic constants of CeO 2 has also been studied, using three different interatomic potentials. We compare the results of the present calculations with those of the previous theoretical calculations as well as with the available experiments.
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