Effects of Alloying Element Cr on Ni-Mn-Ga Alloys Studied by Ab Initio Calculations

Abstract:

The effects of Cr addition on the crystal structure, phase stability and magnetic properties of Ni₈Mn_4-xGa₄Cr_x (x=0, 1 and 2) ferromagnetic shape memory alloys are systematically investigated by ab-initio calculations. The formation energy results indicate that the added Cr preferentially occupies the Mn sites in Ni₂MnGa alloy due to the lowest formation energy. The evaluated Curie temperature decreases with increasing Cr content are derived from the decrease of the total energy difference between the paramagnetic and the ferromagnetic austenite.

• Periodical: Materials Science Forum (Volume 873)
• Pages: 13-17
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.873.13
• Online since: September 2016
• Authors: Shuang Ji Han, Jing Bai*, Shuai Wang, Yi Fan Zhang
• Keywords: Ab Initio Calculation, Curie Temperature (T_c), Density of States (DOS), Ferromagnetic Shape Memory Alloys (FSMAs), Ni-Mn-Ga-Cr, Site Occupation

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