Abstract
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.
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