The conversion efficiency from charge current to spin current via the spin Hall effect is evaluated by the spin Hall ratio (SHR). Through state-of-the-art ab initio calculations involving both charge conductivity and spin Hall conductivity, we report the SHRs of the III-V monolayer family, revealing an ultrahigh ratio of 0.58 in the hole-doped GaAs monolayer. In order to find more promising 2D materials, a descriptor for high SHR is proposed and applied to a high-throughput database, which provides the fully relativistic band structures and Wannier Hamiltonians of 216 exfoliable monolayer semiconductors and has been released to the community. Among potential candidates for high SHR, the MXene monolayer Sc₂CCl₂ is identified with the proposed descriptor and confirmed by computation, demonstrating the descriptor validity for high SHR materials discovery.

通过自旋霍尔效应从电荷电流到自旋电流的转换效率通过自旋霍尔比 （SHR） 来评估。通过涉及电荷电导率和自旋霍尔电导率的最先进的从头计算，我们报告了 III-V 单层家族的 SHR，揭示了空穴掺杂 GaAs 单层中的 SHR 为 0.58 的超高比率。为了找到更有前途的二维材料，提出了一个高 SHR 的描述符并将其应用于高通量数据库，该数据库提供了 216 个可重构单层半导体的完全相对论能带结构和 Wannier 哈密顿量，并已向社区发布。在高 SHR 的潜在候选者中，MXene 单层 Sc₂CCl₂ 用所提出的描述符进行鉴定并通过计算确认，证明了高 SHR 材料发现的描述符有效性。