The structural and elastic properties of a full-Heusler compound Cu2MnAl under pressure

Abstract

First-principles calculations of the crystal structure and the elastic constants of Cu2MnAl Heusler compound have been investigated by the plane-wave pseudopotential density functional theory method. The calculated lattice and elastic constants are in agreement with the experimental and existing theoretical calculations. Based on the elastic constants, the aggregate elastic moduli (B, G), Poisson�s ratio, elastic anisotropy, melting point and Debye temperature with pressure have been investigated. It is found that the ductility, elastic anisotropy, melting point and Debye temperature increase with increasing pressure.