First principles calculation and experimental study of spin pumping and the spin Hall Effect in La_0.67Sr_0.33MnO₃

The spin Hall effect is one of the most important mechanisms to generate spin currents in spintronic devices. Recently, experiments have shown that anti-damping spin torques and the inverse spin Hall effect occur simultaneously in the La_0.67Sr_0.33MnO₃ (LSMO)/Pt heterostructures [1]. In this talk, we discuss theoretical calculations and experimental measurements of the inverse spin Hall effect in single layer LSMO films. In order to elucidate the physical origin of the experimental observations, we compute the spin Hall conductivity of LSMO using first principles calculations. First, density functional theory (DFT) is employed to calculate the ground state electronic structure of LSMO, as implemented in the Quantum Espresso package. Next, the calculated electronic structure is interpolated into the maximally-localized Wannier functions basis using Wannier90. Finally, using the Kubo formalism, we compute the full spin Hall conductivity tensor of LSMO under an applied electric field to assess the generation of spin current for a given electric field. We find spin Hall conductivity values for LSMO on the order of 10 S/cm, in reasonable agreeance with the experimental results.

[1]: P. Gupta, B. B. Singh, K. Roy, et al. Nanoscale., Vol. 13 p. 2714-2719 (2021)