Effects of atomic and magnetic order on electronic transport in Pd-rich Pd-Fe alloys

The transport properties of Pd-rich PdFe alloys are investigated as a function of the atomic and magnetic order on the L2(1) (Cu3Au) lattice. The residual resistivity, anisotropic magnetoresistance (AMR), and anomalous Hall effect are calculated from first principles in their dependence on the degree of atomic order. The calculations are based on the relativistic generalization of the transport Kubo-Greenwood approach as formulated in the framework of the first-principles tight-binding linear muffin-tin orbital (TB-LMTO) method and coherent potential approximation (CPA). The effect of the thermal magnetic disorder on the resistivity (thermal magnetoresistance) and AMR has been also studied using the disordered local moment approach based on the CPA. It is found that the experimentally observed fast decrease of AMR ratio with temperature can be mostly ascribed to the spin disorder effects. Our results are in an overall good agreement with available experimental data.