TITLE:
Investigation of Thermodynamic Properties of Zirconia Thin Films by Statistical Moment Method
AUTHORS:
Vu Van Hung, Le Thi Thanh Huong, Dang Thanh Hai
KEYWORDS:
Thin Film, Zirconia, Lattice Constant, Thermal Expansion Coefficient, Specific Heats at the Constant Volume, Statistical Moment Method
JOURNAL NAME:
Materials Sciences and Applications,
Vol.9 No.12,
November
23,
2018
ABSTRACT: The
moment method in statistical (SMM) dynamics is used to study the thermodynamic
quantities of ZrO2 thin films taking into account the anharmonicity
effects of the lattice vibrations. The average lattice constant, thermal
expansion coefficient and specific heats at the constant volume of ZrO2 thin films are calculated as a function of temperature, pressure and thickness
of thin film. SMM calculations are performed using the Buckingham potential for
the ZrO2 thin films. In the present study, the influence of
temperature, pressure and the size on the thermodynamic quantities of ZrO2 thin film have been studied using three different interatomic potentials. We
discuss temperature and thickness dependences of some thermodynamic quantities
of ZrO2 thin films and we compare our calculated results with those
of the experimental results.