Analysis of the spin Hall effect in CuIr alloys: Combined approach of density functional theory and Hartree-Fock approximation

Journal Article · Thu May 07 00:00:00 EDT 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4914531· OSTI ID:22410084

Xu, Zhuo; Gu, Bo; Mori, Michiyasu; Maekawa, Sadamichi ^[1]; Ziman, Timothy ^[2]

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1. Advanced Science Research Center, Japan Atomic Energy Agency, Tokai 319-1195 (Japan)
2. Institut Laue Langevin, 71 avenue des Martys, CS-20156, F-38042 Grenoble Cedex 9 (France)

We analyze the spin Hall effect in CuIr alloys in theory by the combined approach of the density functional theory (DFT) and Hartree-Fock (HF) approximation. The spin Hall angle (SHA) is obtained to be negative without the local correlation effects. After including the local correlation effects of the 5d orbitals of Ir impurities, the SHA becomes positive with realistic correlation parameters and consistent with experiment [Niimi et al., Phys. Rev. Lett. 106, 126601 (2011)]. Moreover, our analysis shows that the DFT + HF approach is a convenient and general method to study the influence of local correlation effects on the spin Hall effect.

• OSTI ID: 22410084
• Journal Information: Journal of Applied Physics, Vol. 117, Issue 17; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
COPPER ALLOYS
CORRELATIONS
DENSITY FUNCTIONAL METHOD
HALL EFFECT
HARTREE-FOCK METHOD
IRIDIUM ALLOYS
SPIN