Intrinsic spin Hall and Rashba effects in metal nitride bromide monolayer for spin-orbitronics

Abstract

Investigating the interplay between charge and spin conversion in two-dimensional (2D) materials holds significant promise for futuristic electronic applications. Through density functional theory, our study delves into the charge-spin conversion and spin density dynamics in the non-magnetic SnNBr monolayer under time-reversal invariance. The breaking of out-of-plane mirror symmetry and inversion symmetry, along with the presence of spin–orbit coupling (SOC) lead to a notable momentum-dependent spin band splitting or Rashba effect induced by the inherent out-of-plane electric field. Theoretical calculations reveal not only the presence of profound Rashba spin splitting but also the coexistence of intrinsic spin Hall effects in the SnNBr monolayer. Analysis of k-resolved spin Berry curvature sheds light on the origin of the substantial intrinsic spin Hall conductivity. Furthermore, our research highlights the modulation of charge-to-spin conversion and spin density accumulation through in-plane biaxial strains. Moreover, the variation in the Rashba parameter is correlated with the changes in the built-in out-of-plane electric field and microscopic atomic orbital contributions. These findings underscore the exceptional potential of the non-centrosymmetric SnNBr monolayer for advanced spintronics, spin-orbitronics, and piezo-spintronic applications, and serve as a catalyst for further experimental investigations.