Ternary phase diagram of Ni-Mn-Ga: insights from ab initio calculations
Chelyabinsk State University, 454001 Chelyabinsk, Russia
2 National Reserach South Ural State University, 454080 Chelyabinsk, Russia
3 Bowling Green State University, OH-43403 Bowling Green, USA
Published online: 4 July 2018
In this work we perform a wide-range systematic study of the family off-stoichiometric Ni-Mn-Ga alloys by using the supercell approach in the framework of density functional theory. Our goal is to explore the compositional variations of the structural stability and magnetic properties of Ni-Mn-Ga compositions. As a result equilibrium lattice parameters, bulk moduli, total magnetic moments, and formation energies of a wide range of Heusler alloys have been mapped on compositional ternary diagrams.
© The Authors, published by EDP Sciences, 2018
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