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

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., Carva, K., & 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: Jun 17, 2019
• 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
• Contract Date: Jun 13, 2019