Spin-disorder resistivity of ferromagnetic metals from first principles: The disordered-local-moment approach

TLDR: In this paper, the paramagnetic spin-disorder resistivity of transition-metal ferromagnets was determined from first principles using the disordered local moment (DLM) model combined with the Kubo-Greenwood linear response calculation.

Abstract: The paramagnetic spin-disorder resistivity (SDR) of transition-metal ferromagnets Fe, Co, Ni, ordered transition metal alloys Ni${}_{3}$Mn and Fe${}_{3}$Si as well as Ni${}_{2}$Mn$X$ ($X=\text{In}$,Sn,Sb) Heusler alloys is determined from first principles. SDR is evaluated similar to the residual resistivity by using the disordered local moment (DLM) model combined with the Kubo-Greenwood linear response calculation. The electronic structure is determined within the tight-binding linear muffin-tin orbital method and the coherent potential approximation (CPA) applied to the DLM state. We also estimate the temperature dependence of the resistivity below the Curie temperature using a simple model. The results agree well with the supercell Landauer-B\"uttiker calculations and, generally, with experimental data. For the Ni${}_{2}$MnSb Heusler alloy it is necessary to include substitutional disorder of B2-type to explain the experimental data.