Transport properties of doped permalloy via ab-initio calculations: effect of the host disorder (1909.06066v3)

Abstract: Transport properties of permalloy doped with V, Co, Pt, and Au are explored via ab-initio calculations. The Kubo-Bastin formula is evaluated within the fully relativistic Korringa-Kohn-Rostoker Green function formalism. Finite temperature effects are treated by means of the alloy analogy model. It is shown that the fact that the host is disordered and not crystalline has a profound effect on how the conductivities characterizing the anomalous Hall effect and the spin Hall effect depend on the dopant concentration. Several relationships between quantities characterizing charge and spin transport are highlighted. The decrease of the longitudinal charge conductivity with increasing doping depends on the dopant type, following the sequence Co-Au-Pt-V. The dependence of the anomalous Hall and spin Hall conductivities on the dopant concentration is found to be non-monotonic. Introducing a finite temperature changes the overall trends significantly. The theoretical results are compared with available experimental data.