Calculation of Elastic Constants of Cubic Metals by Statistical Moment Method: Temperature Dependence

摘要

The elastic properties of cubic metals have been studied using the analytic free energy formulas derived from the quantum statistical moment method (SMM). The three independent elastic constants C-11, C-12, and C-44 of cubic metals are calculated as a function of the temperature taking into account the anharmonicity of thermal lattice vibrations, and compared with the available experimental results. The particular attention has been paid to the understanding of the anharmonicity effects of thermal lattice vibrations on the elastic properties and thermodynamic crystalline stabilities of the metals in comparison with those by classical treatments of SMM.