| Issue |
MATEC Web of Conferences
Volume 33, 2015
ESOMAT 2015 – 10th European Symposium on Martensitic Transformations
|
|
|---|---|---|
| Article Number | 05005 | |
| Number of page(s) | 6 | |
| Section | Magnetic alloys | |
| DOI | https://doi.org/10.1051/matecconf/20153305005 | |
| Published online | 07 December 2015 | |
Compositional trends in Ni-Mn-Ga Heusler alloys: first-principles approach
1 Chelyabinsk State University, Condensed Matter Department, 454001 Chelyabinsk, Russia
2 Bowling Green State University, Department of Physics and Astronomy, OH - 43403 Bowling Green, USA
a Corresponding author: vsokolovsky84@mail.ru
In this work we present a systematic investigation of magnetic and structural properties of a broad range of Ni-Mn-Ga alloys by means of the density functional theory. Calculations are carried out for the cubic austenitic phase. The effect of chemical disorder is simulated by using the single-site coherent-potential approximation and the spin-polarized generalized gradient approximation. 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 that give a bigger picture of the variety of physical properties of this family of alloys.
© Owned by the authors, published by EDP Sciences, 2015
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.