Crystal Structure, Phase Stability and Magnetic Properties of Cu-Doped Ni₂MnGa Alloys from First-Principles Calculations

Abstract:

The effects of Cu addition on the crystal structure, phase stability and magnetic properties of Ni₈Mn_4-xGa₄Cu_x (x=0, 0.5, 1, 1.5 and 2) ferromagnetic shape memory alloys are systematically investigated by first-principles calculations. The formation energy results indicate that the added Cu preferentially occupies the Mn sites in Ni₂MnGa alloy. The formation energy results indicate that ferromagnetic austenite is more stable than the paramagnetic one. The ferromagnetic state becomes instable and paramagnetic state becomes more stable when Mn is gradual substituted by Cu. Furthermore, the electronic density of states gives rise to the difference in the magnetic properties.

• Periodical: Materials Science Forum (Volume 873)
• Pages: 3-7
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.873.3
• Online since: September 2016
• Authors: Mei Jie Yang, Jing Bai*, Ze Li, Teng Fei Qiu
• Keywords: Cu Addition, Curie Temperature (Tc), Density of States (DOS), First-Principles Calculations, Martensitic Transformation Temperature, Ni-Mn-Ga-Cu, Site Occupation

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