Magnetostriction of Fe100-xGax alloys from first principles calculations
Abstract
Using density functional theory, the ground state properties, magnetocrystalline energy, and tetragonal magnetostriction λ001 for Fe-Ga alloys with A2, D03 and L12 structures were calculated. It was found that the equilibrium lattice parameters for every structure increase with increasing Ga content. The magnetocrystalline anisotropy energy (MAE) was projected into the tetragonal distortion - Ga concentration diagram, according to which the MAE reveals an alternating character. For Fe78.125Ga21.875 , the largest value of tetragonal magnetostriction λ001 was found.
- Publication:
-
Journal of Magnetism and Magnetic Materials
- Pub Date:
- April 2019
- DOI:
- 10.1016/j.jmmm.2018.12.038
- Bibcode:
- 2019JMMM..476..120M
- Keywords:
-
- Fe-Ga;
- Energy of magneto-crystalline anisotropy;
- Ab initio calculations;
- Magnetostriction