The electronic and thermal transport properties of the Earth's core are crucial for many geophysical models such as the geodynamo model of the Earth's magnetic field and of its reversals. Here we show, by considering bcc-iron and iron-rich iron-silicon alloy as a representative of the Earth's core composition and applying the first-principles modeling that the spin disorder at the Earth's core conditions not considered previously provides an essential contribution, of order 20 µΩ cm, to the electrical resistivity. This value is comparable in magnitude with the electron-phonon and with the recently estimated electron-electron scattering contributions. The origin of the spin-disorder resistivity (SDR) consists in the existence of fluctuating local moments that are stabilized at high temperatures by the magnetic entropy even at pressures at which the ground state of iron is non-magnetic. We find that electron-phonon and SDR contributions are not additive at high temperatures. We thus observe a large violation of the Matthiessen rule, not common in conventional metallic alloys at ambient conditions. PACS numbers: 72.25. Ba,75.20.Hr,91.35.Cb,91.35.Lj
Temperature-dependent resistivity ρ(T ) and magnetoresistance are measured in bulk tetragonal phase of antiferromagnetic CuMnAs and the latter is found to be anisotropic both due to structure and magnetic order. We compare these findings to model calculations with chemical disorder and finite-temperature phenomena included. The finite-temperature ab initio calculations are based on the alloy analogy model implemented within the coherent potential approximation and the results are in fair agreement with experimental data. Regarding the anisotropic magnetoresistance (AMR) which reaches a modest magnitude of 0.12%, we phenomenologically employ the Stoner-Wohlfarth model to identify temperature-dependent magnetic anisotropy of our samples and conclude that the field-dependence of AMR is more similar to that of antiferromagnets than ferromagnets, suggesting that the origin of AMR is not related to isolated Mn magnetic moments.
We present implementation of the alloy analogy model within fully relativistic density functional theory with the coherent potential approximation for a treatment of nonzero temperatures. We calculate contributions of phonons and magnetic and chemical disorder to the temperature dependent resistivity, anomalous Hall conductivity (AHC), and spin-resolved conductivity in ferromagnetic half-Heusler NiMnSb. Our electrical transport calculations with combined scattering effects agree well with experimental literature for Ni-rich NiMnSb with 1 to 2 % Ni-impurities on Mn-sublattice. The calculated AHC is dominated by the Fermi surface term in the Kubo-Bastin formula. Moreover, the AHC as a function of longitudinal conductivity consists of two linear parts in the Ni-rich alloy, while it is non-monotonic for Mn impurities. We obtain the spin polarization of the electrical current P > 90% at room temperature and we show that P may be tuned by a chemical composition. The presented results demonstrate the applicability of efficient first principle scheme to calculate temperature dependence of linear transport coefficient in multisublattice bulk magnetic alloys.
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