Abstract
The effect of structural relaxations on the magnetocrystalline anisotropy energy (MAE) was investigated by using density functional theory (DFT). The theory of the impact of magnetostructural coupling on the MAE was discussed, including the effects on attempt frequency. The MAE for ferromagnetic FePt (3.45 meV/formula unit) and antiferromagnetic PtMn (0.41 meV/formula unit) were calculated within the local density approximation (LDA). The effects of the structural relaxation were calculated and found to give a <0.5% reduction to the MAE for the ferromagnet and ∼20% for the antiferromagnet.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have