https://doi.org/10.1051/epjconf/201818505012
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
*
e-mail: miczag@mail.ru
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
This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
