HTHP 49.4, p. 357-366

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The structural and elastic properties of a full-Heusler compound Cu₂MnAl under pressure
Lili Liu, Cai Chen, Yufeng Wen and Youchang Jiang

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.

Keywords: Cu₂MnAl, Elastic properties, First principles, Pressure

Full Text (IP)
DOI: 10.32908/hthp.v49.875