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First-principles computation of structural, elastic and magnetic properties of Ni2FeGa across the martensitic transformation
2012
Journal of Physics: Condensed Matter
The structural stabilities, elastic, electronic and magnetic properties of the Heusler-type shape memory alloy Ni 2 FeGa are calculated using density functional theory. The volume conserving tetragonal distortion of the austenite Ni 2 FeGa find an energy minimum at c/a = 1.33. Metastable behaviour of the high temperature cubic austenite phase is predicted due to elastic softening in the [110] direction. Calculations of the total and partial magnetic moments show a dominant contribution from Fe
doi:10.1088/0953-8984/25/2/025502
pmid:23186622
fatcat:3yzm2ljhgbdrfn3tuvwpwgqzka