Fully Relativistic Temperature-Dependent Electronic Transport Properties of Magnetic Alloys From the First Principles

Ab initio calculations based on the fully relativistic Dirac approach and incorporating chemical disorder and temperature-induced atomic displacements (phonons) are presented. The tight-binding linear muffin-tin orbital method is used, and the multicomponent coherent potential approximation deals with the chemical disorder and phonons on the same level. Electrical resistivities calculated without and with spin-orbit interaction are compared, and the anomalous Hall effect for magnetic alloys is investigated. The developed technique is tested on pure nickel and on random binary Cu-Ni alloys. The calculated results are found to be in good agreement with experimental and other theoretical data. The combined effect of phonons and spin disorder, simulated within the disordered local moment state, has also been studied. The results confirm the validity of Matthiessen's rule in a wide range of temperatures for the electrical resistivity of pure nickel.