Impact of finite temperatures on the transport properties of Gd from first principles

TL;DR

This paper investigates how finite temperatures influence the electrical transport properties of Gd, incorporating magnetic and lattice effects through a first-principles multiple scattering approach, and validates the model against experimental data.

Contribution

It introduces a comprehensive first-principles scheme that simultaneously accounts for thermal vibrations and spin fluctuations in magnetic metals using the CPA within the multiple scattering formalism.

Findings

The scheme accurately predicts temperature-dependent resistivity in Gd.

The model reproduces the anomalous Hall effect behavior at finite temperatures.

Comparison with experiments confirms the scheme's effectiveness.

Abstract

Finite temperature effects have a pronounced impact on the transport properties of solids. In magnetic systems, besides the scattering of conduction electrons by impurities and phonons, an additional scattering source coming from the magnetic degrees of freedom must be taken into account. A first-principle scheme which treats all these scattering effects on equal footing was recently suggested within the framework of the multiple scattering formalism. Employing the alloy analogy model treated by means of the CPA, thermal lattice vibrations and spin fluctuations are effectively taken into account. In the present work the temperature dependence of the longitudinal resistivity and the anomalous Hall effect in the strongly correlated metal Gd is considered. The comparison with experiments demonstrates that the proposed numerical scheme does provide an adequate description of the electronic transport at finite temperatures.