Spin-disorder resistivity of ferromagnetic metals from first principles: The disordered-local-moment approach
نویسندگان
چکیده
Spin-disorder resistivity of ferromagnetic metals from first principles: The disordered-local-moment approach" (2012). Kirill Belashchenko Publications. Paper 21. 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 MnX (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-Büttiker 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.
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