Study of thermodynamic properties of cerium dioxide under high pressures

被引：7

作者：

Vu Van Hung ^{[1
]}

Le Thi Mai Thanh ^{[1
]}

Masuda-Jindo, K. ^{[2
]}

机构：

[1] Hanoi Natl Univ Educ, Hanoi, Vietnam

[2] Tokyo Inst Technol, Midori Ku, Yokohama, Kanagawa 2268503, Japan

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2010年 / 49卷 / 04期

关键词：

Statistical moment method; High pressure; Cerium dioxide; Anharmonicity; CEO2;

D O I：

10.1016/j.commatsci.2010.03.003

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The statistical moment method (SMM) is used to study the thermodynamic quantities of the cubic fluorite cerium dioxide talking into account the anharmonicity effects of the lattice vibrations and hydrostatic pressures. The thermodynamic quantities of CeO2 are calculated as a function of the pressure. The SMM calculations are performed by using the Buckingham potential for the cerium dioxide. The effects of the three different potential parameter sets of the Buckingham potential on some thermodynamic properties for CeO2 are also investigated. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：S355 / S358

页数：4

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