Programme

P.68 -- Poster, VCTP-49

Date: Friday, 2 August 2024

Time: 08:30 - 10:00

Investigation of the thermodynamic properties of ABO3 perovskite by the statistical moment method

Cao Huy Phuong (1), Vu Van Hung (2)

(1) Faculty of Natural Sciences, Hung Vuong University; (2) VNU University of Education

We investigate the thermodynamic properties of cubic- structure ABO3 perovskite using the statistical moment method (SMM). The closed analytic expresssion of the potential energy is obtained within approximation up to the fourth-order of the power moments of the atomic displacements and the analytic expressions of the thermodynamic quantities, such as the free energy, thermal expansion coefficients, and heat capacity at the constant volume and constant pressure of ABO3 are also derived. Using the suitable potential with patial charge, the numerical results of the thermodynamic quantities of SrTiO3 and BaTiO3 by the statistical moment method at various temperatures and pressures are obtained. That have shown good agreement with the other theoretical and experimental data. SMM is a great potential to investigate the thermodynamic properties of the various perovskite materials with the cubic structure.

Presenter: Cao Huy Phuong