Calculations of spin-disorder resistivity from first principles

TL;DR

This paper uses first-principles calculations to study how spin disorder affects electrical resistivity in Fe and Ni, revealing insights into magnetic short-range order near the Curie temperature.

Contribution

It introduces a first-principles approach to calculate spin-disorder resistivity, incorporating noncollinear density functional theory and mean-field approximations.

Findings

Resistivity in Fe matches experimental data in the disordered state.

Ni's resistivity exceeds experimental values, indicating short-range magnetic order.

Dependence of resistivity on magnetization aligns with the isotropic s-d model.

Abstract

Spin-disorder resistivity of Fe and Ni is studied using the noncollinear density functional theory. The Landauer conductance is averaged over random disorder configurations and fitted to Ohm's law. The distribution function is approximated by the mean-field theory. The dependence of spin-disorder resistivity on magnetization in Fe is found to be in excellent agreement with the results for the isotropic s-d model. In the fully disordered state, spin-disorder resistivity for Fe is close to experiment, while for fcc Ni it exceeds the experimental value by a factor of 2.3. This result indicates strong magnetic short-range order in Ni at the Curie temperature.