Temperature-dependent resistivity and anomalous Hall effect in NiMnSb from first principles
Wagenknecht D, Smejkal L, Kaspar Z, Sinova J, Jungwirth T, Kudrnovsky J, Carva K, Turek I (2019)
Publication Type: Journal article
Publication year: 2019
Journal
Book Volume: 99
Article Number: 174433
Journal Issue: 17
DOI: 10.1103/PhysRevB.99.174433
Abstract
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 P>90% 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.
Involved external institutions
Univerzita Karlova v Praze / Charles University in Prague
Czech Republic (CZ)
Academy of Sciences of the Czech Republic (ASCR) / Akademie věd České republiky (AVČR)
Czech Republic (CZ)
Czech Republic (CZ)
Academy of Sciences of the Czech Republic (ASCR) / Akademie věd České republiky (AVČR)
Czech Republic (CZ)
How to cite
APA:
Wagenknecht, D., Smejkal, L., Kaspar, Z., Sinova, J., Jungwirth, T., Kudrnovsky, J.,... Turek, I. (2019). Temperature-dependent resistivity and anomalous Hall effect in NiMnSb from first principles. Physical Review B, 99(17). https://doi.org/10.1103/PhysRevB.99.174433
MLA:
Wagenknecht, David, et al. "Temperature-dependent resistivity and anomalous Hall effect in NiMnSb from first principles." Physical Review B 99.17 (2019).
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