We study the spin Hall effect (SHE) and the orbital Hall effect (OHE) in magnetic materials using automatic high-throughput calculation scheme. The SHE is a phenomenon in which an applied electric field induces a spin current. This effect plays a key role in various spintronics devices. Although the SHE has been researched mainly in nonmagnetic materials, SHE in magnetic materials has gained a considerable attention recently as they can exhibit a large SHE1. The OHE, a phenomenon in which electric field generates a flow of orbital angular momentum, has also been attracting attention as a new driving mechanism of devices 2. For future application, exploring materials with large SHE or OHE is demanded.

In this study, we perform a systematic evaluation of the spin Hall conductivity (SHC) and the orbital Hall conductivity (OHC) of select materials from MAGNDATA3, a database of magnetic materials. We target collinear materials both ferromagnets and antiferromagnets, and evaluate their intrinsic contributions of SHC and OHC based on Kubo-formula.

Figure 1 shows the results of SHC and OHC of 84 materials. The OHCs in most materials are nearly ten times larger than the SHCs. Interestingly, the Mn3Pt has a colossal OHC reaching about 14000 (hbar/e)S/cm, which is higher than either OHC of Mn (~10000) and Pt (~2000) 4, suggesting the importance of the material structure. Further analysis of both theoretical aspect and data science will be presented at the conference.

References 1 C. Qin, et al., Phys. Rev. B 96, 134418 (2017); Y. Zhang et al., New J. Phys. 20, 7 (2018). 2 H. Kontani, et al., J. Phys. Soc. Jpn., 76, 103702 (2007). 3 S.V. Gallego et al., J. Appl. Crystallogr. 49, 1750 (2016). 4 D. Jo, D. Go, and H-W. Lee, Phys. Rev. B 98, 214405 (2018).