6533b82efe1ef96bd1293f1f
RESEARCH PRODUCT
Temperature-dependent resistivity and anomalous Hall effect in NiMnSb from first principles
David WagenknechtLibor ŠMejkalZdeněk KašparJairo SinovaTomáš JungwirthJosef KudrnovskýKarel CarvaIlja Tureksubject
Materials scienceCondensed matter physicsSpin polarizationPhononFermi surface02 engineering and technologyConductivity021001 nanoscience & nanotechnology01 natural sciencesCondensed Matter::Materials ScienceFerromagnetismHall effectElectrical resistivity and conductivity0103 physical sciencesCoherent potential approximation010306 general physics0210 nano-technologydescription
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--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 nonmonotonic for Mn impurities. We obtain the spin polarization of the electrical current $Pg90%$ at room temperature and we show that $P$ may be tuned by chemical composition. The presented results demonstrate the applicability of an efficient first-principles scheme to calculate temperature dependence of linear transport coefficients in multisublattice bulk magnetic alloys.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2019-05-28 | Physical Review B |