Electronic, magnetic, elastic and thermodynamic properties of Cu2MnGa
作者： Sukriti Ghosh , Dinesh C. Gupta
DOI: 10.1016/J.JMMM.2016.03.044
关键词: Lattice constant 、 Materials science 、 Density of states 、 Isotropy 、 Ferromagnetism 、 Phase (matter) 、 Ductility 、 Atom 、 Anisotropy 、 Condensed matter physics
摘要: Abstract The full-potential linearized augmented plane wave method in the stable Fm-3m phase has been implemented to investigate structural, elastic, magnetic and electronic properties of Cu 2 MnGa. optimized equilibrium lattice parameter is found be 5.9495 A. By spin resolved density states calculations, we have shown that exchange splitting due Mn atom main reason ferromagnetic behavior absence energy gap both channels predicts material metallic. total partial states, elastic constants, Shear, Bulk Young’s moduli, Zener isotropy factor, Cauchy pressure, Pugh's ductility, Kleinman Poisson's ratio are reported for first time alloy. Cauchy's pressure index ductility label MnGa as ductile. anisotropic nature. quasi-harmonic approximations employed study temperature dependent thermodynamic
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