Study of Lattice Dynamics and Elastic Constants of Cu3Au Using Pseudopotential.

Using second order perturbation theory in the present study, we have investigated lattice dynamics in symmetric directions and second order elastic constants (C11, C12 and C44) for ordered Cu3Au binary alloys. The theoretical results of lattice dynamics and second order elastic constants (SOEC) are in a good agreement with experimental findings and available theoretical results. We conclude that the effective valency determine from first principles method with local pseudopotential do play an important role for theoretical understanding of physical properties of Cu3Au. [ABSTRACT FROM AUTHOR]