Data-driven identification of two-dimensional monolayers with strong intrinsic spin hall effect

Abstract The spin Hall effect, pivotal for converting charge currents into spin currents, holds promise for advancing information transfer and processing technologies, especially within the emerging field of spintronics. As the demand for compact, energy-efficient devices grows, we conducted a high-precision, high-throughput first-principles study of the intrinsic spin Hall effect in time-reversal invariant two-dimensional materials. Our calculations indicate that topologically non-trivial materials exhibit notable spin Hall conductivity and spin Hall angle, primarily due to phenomena such as band anticrossing or the presence of gapless Weyl or Dirac nodes. Through k-resolved spin Berry curvature analysis, we further uncovered the mechanisms behind the high charge-spin conversion efficiency in these materials. The study identifies several two-dimensional topologically non-trivial materials as strong candidates for generating pure spin currents, with potential applications in spintronics, spin-orbitronics, and spin-caloritronics.