tailieunhanh - Lattice constant of ceria thin film: Temperature dependence

In the present study, the influence of temperature and the size of the lattice constant of CeO2 thin film have been studied using three different interatomic potentials. We discuss temperature and thickness dependence of the lattice constant of CeO2 thin films and we compare our calculated results with those of the experimental results. | JOURNAL OF SCIENCE OF HNUE Mathematical and Physical Sci. 2012 Vol. 57 No. 7 pp. 79-87 This paper is available online at http LATTICE CONSTANT OF CERIA THIN FILM TEMPERATURE DEPENDENCE Vu Van Hung Nguyen Thi Hang1 and Le Thi Thanh Huong2 1 Faculty of Physics Hanoi National University of Education 2 Faculty of Physics Hai Phong University Abstract. The moment method in statistical SMM dynamics is used to study the lattice constant of CeO2 thin films taking into account the anharmonicity effects of the lattice vibrations. The nearest neighbor distance and the lattice constant of CeO2 thin films are calculated as a function of temperature. SMM calculations are performed using the Buckingham potential for the CeO2 thin films. In the present study the influence of temperature and the size of the lattice constant of CeO2 thin film have been studied using three different interatomic potentials. We discuss temperature and thickness dependence of the lattice constant of CeO2 thin films and we compare our calculated results with those of the experimental results. Keywords Thin film ceria Lattice constant statistical moment method. 1. Introduction Cerium dioxide or ceria possesses a cubic fluorite structure with a lattice parameter of A where in the unit cell the Ce4 cations occupy the fcc lattice sites 2 while the O anions are located at the eight tetrahedral sites. Cerium dioxide CeO2 is an important oxide material used as high and low index films in multi-layer optical thin film devices. CeO2 thin films have been deposited and characterized using different techniques 1 . Among the oxide materials CeO2 has attracted more and more attention because of its desirable properties which includes high stability against mechanical abrasion chemical attack and high temperatures 2 3 . Most previous theoretical studies were concerned with the material properties of CeO2 bulk and thin film at absolute zero temperature while temperature dependence of .