Spin-disorder resistivity of ferromagnetic metals from first principles: The disordered-local-moment approach
Abstract
The paramagnetic spin-disorder resistivity (SDR) of transition-metal ferromagnets Fe, Co, Ni, ordered transition metal alloys Ni3Mn and Fe3Si as well as Ni2MnX (X = 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-Buttiker calculations and, generally, with experimental data. For the Ni2MnSb Heusler alloy it is necessary to include substitutional disorder of B2-type to explain the experimental data.