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

## Abstract

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.

- Authors:

- Advanced Science Research Center, Japan Atomic Energy Agency, Tokai 319-1195 (Japan)
- (Japan)
- Institut Laue Langevin, 71 avenue des Martys, CS-20156, F-38042 Grenoble Cedex 9 (France)
- (UMR 5493), CNRS and Université Joseph-Fourier Grenoble, 38042 Grenoble (France)

- Publication Date:

- OSTI Identifier:
- 22410084

- Resource Type:
- Journal Article

- Journal Name:
- Journal of Applied Physics

- Additional Journal Information:
- Journal Volume: 117; Journal Issue: 17; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979

- Country of Publication:
- United States

- Language:
- English

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

### Citation Formats

```
Xu, Zhuo, E-mail: xu.zhuo@jaea.go.jp, Gu, Bo, Mori, Michiyasu, Maekawa, Sadamichi, CREST, Japan Science and Technology Agency, Sanbancho, Tokyo 102-0075, Ziman, Timothy, and LPMMC.
```*Analysis of the spin Hall effect in CuIr alloys: Combined approach of density functional theory and Hartree-Fock approximation*. United States: N. p., 2015.
Web. doi:10.1063/1.4914531.

```
Xu, Zhuo, E-mail: xu.zhuo@jaea.go.jp, Gu, Bo, Mori, Michiyasu, Maekawa, Sadamichi, CREST, Japan Science and Technology Agency, Sanbancho, Tokyo 102-0075, Ziman, Timothy, & LPMMC.
```*Analysis of the spin Hall effect in CuIr alloys: Combined approach of density functional theory and Hartree-Fock approximation*. United States. doi:10.1063/1.4914531.

```
Xu, Zhuo, E-mail: xu.zhuo@jaea.go.jp, Gu, Bo, Mori, Michiyasu, Maekawa, Sadamichi, CREST, Japan Science and Technology Agency, Sanbancho, Tokyo 102-0075, Ziman, Timothy, and LPMMC. Thu .
"Analysis of the spin Hall effect in CuIr alloys: Combined approach of density functional theory and Hartree-Fock approximation". United States. doi:10.1063/1.4914531.
```

```
@article{osti_22410084,
```

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

author = {Xu, Zhuo, E-mail: xu.zhuo@jaea.go.jp and Gu, Bo and Mori, Michiyasu and Maekawa, Sadamichi and CREST, Japan Science and Technology Agency, Sanbancho, Tokyo 102-0075 and Ziman, Timothy and LPMMC},

abstractNote = {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.},

doi = {10.1063/1.4914531},

journal = {Journal of Applied Physics},

issn = {0021-8979},

number = 17,

volume = 117,

place = {United States},

year = {2015},

month = {5}

}

DOI: 10.1063/1.4914531

Other availability

Save to My Library

You must Sign In or Create an Account in order to save documents to your library.