Theoretical prediction of the mechanical and thermodynamic characteristics of Fe2MnGa Heusler compounds with different crystal phases

Results in Physics

卷:38

Jianhui Yang¹  Chunhai Liu²  Qiang Fan³ 

[1] Chemical Engineering, Chengdu University of Technology, Chengdu 610059, PR China;

[2] College of Materials and Chemistry &

[3] School of New Energy Materials and Chemistry, Leshan Normal University, Leshan 614004, PR China;

关键词: Heusler compounds;    First-principles calculations;    Elastic properties;    Anisotropy properties;    Debye temperature;   

DOI  :  

来源: DOAJ

【 摘 要 】

For the first time, the crystal structure, elastic properties, anisotropy, Vickers hardness and Debye temperature of four different phases (cubic, tetragonal, hexagonal and orthorhombic) of Fe2MnGa are investigated by the first-principles calculations. The results demonstrate that those types of Fe2MnGa are thermodynamic and mechanical stability and behave in a ductile manner. The Vickers hardness show that the P4/mmm symmetry is significantly higher than that of the others. Furthermore, the anisotropic properties of Fe2MnGa shows that the I4¯m2 symmetry has the highest anisotropy, while the P4/mmm symmetry has the lowest anisotropy. Finally, the Debye temperatures of four different phases have been obtained.

【 授权许可】

Unknown