Spin Hall conductivity and anomalous Hall conductivity in full Heusler compounds

The spin Hall conductivity (SHC) and anomalous Hall conductivity (AHC) in about 120 full Heusler compounds are calculated using the density functional theory in a high-throughput way. The electronic structures are mapped to the Wannier basis and the linear response theory is used to get the conductivity. Our results show that the mechanism under the SHC or AHC cannot be simply related to the valence electron numbers or atomic weights. It is related to the very details of the electronic structures, which can only be obtained by calculations. A high-throughput calculation is efficient to screen out the desired materials. According to our present results, Rh2MnAl and Cu2CoSn, as well as Co2MnAl and Co2MnGa are candidates in spintronic materials regarding their high SHC and AHC values, which can benefit the spin-torque-driven nanodevices.

Automated summary

The spin Hall conductivity (SHC) and anomalous Hall conductivity (AHC) in approximately 120 full Heusler compounds were calculated using density functional theory in a high-throughput manner. The results showed that the mechanism of SHC and AHC cannot be simply explained by valence electron numbers or atomic weights, but rather depends on the details of the electronic structures, which can only be obtained through calculations. High-throughput calculations were efficient in screening desired materials. According to the present results, Rh2MnAl, Cu2CoSn, Co2MnAl, and Co2MnGa are potential candidates for spintronic materials due to their high SHC and AHC values, which could benefit spin-torque-driven nanodevices.