Regensburg 2019 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 47: Magnetic anisotropy in thin films
MA 47.6: Vortrag
Donnerstag, 4. April 2019, 12:45–13:00, H53
Magnetocrystalline Anisotropy of Fe-based Alloys from Perturbative Treatments of the Spin-Orbit Interaction — •Maria Blanco-Rey1,2, Jorge I. Cerda3, and Andres Arnau4,1,2 — 1Universidad del Pais Vasco UPV/EHU, Spain — 2Donostia International Physics Center DIPC, Spain — 3Instituto de Ciencia de Materiales de Madrid ICMM, CSIC, Spain — 4Centro de Fisica de Materiales CFM, CSIC-UPV/EHU, Spain
The magnetocrystalline anisotropy energy (MAE) of various Fe-based alloys of L10 structure has been calculated from first principles with various levels of approximation to the spin-orbit interaction (SOI). The performance of second-order perturbation theory (2PT) and the force-theorem (FT) has been tested against fully-relativistic self-consistent calculations. We find that 2PT is robust for lighter atoms, but it breaks down for 5d metals, whereas FT is more accurate in general. The difference is that 2PT is perturbative in the SOI strength parameter, while FT is perturbative in the charge density changes induced by the SOI. Both methods give a good description of easy-axis switchings under non-neutral charge conditions, as those that may be faced by alloys in magnetoelectric devices. Since 2PT makes use of the scalar-relativistic ground state, which is treated as a many-body system, it is efficient for predicting the MAE behaviour under applied gate biases or strains.