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Temperature-dependent resistivity and anomalous Hall effect in NiMnSb from first principles

Wagenknecht, David; �mejkal, Libor; Ka�par, Zden?k; Sinova, Jairo; Jungwirth, Tom�; Kudrnovsk�, Josef; Carva, Karel; Turek, Ilja

Authors

David Wagenknecht

Libor �mejkal

Zden?k Ka�par

Jairo Sinova

TOMAS JUNGWIRTH tomas.jungwirth@nottingham.ac.uk
Research Professor of Ferromagnetic Semiconductors

Josef Kudrnovsk�

Karel Carva

Ilja Turek



Abstract

© 2019 American Physical Society. 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.

Citation

Wagenknecht, D., Šmejkal, L., Kašpar, Z., Sinova, J., Jungwirth, T., Kudrnovský, J., …Turek, I. (2019). Temperature-dependent resistivity and anomalous Hall effect in NiMnSb from first principles. Physical Review B, 99(17), Article 174433. https://doi.org/10.1103/physrevb.99.174433

Journal Article Type Article
Acceptance Date May 6, 2019
Online Publication Date May 28, 2019
Publication Date May 28, 2019
Deposit Date Jun 13, 2019
Publicly Available Date Mar 28, 2024
Journal Physical Review B
Print ISSN 2469-9950
Electronic ISSN 2469-9969
Publisher American Physical Society
Peer Reviewed Peer Reviewed
Volume 99
Issue 17
Article Number 174433
DOI https://doi.org/10.1103/physrevb.99.174433
Public URL https://nottingham-repository.worktribe.com/output/2183540
Publisher URL https://journals.aps.org/prb/abstract/10.1103/PhysRevB.99.174433

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