2026-06-17T03:32:14Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:2138 2024-09-06T17:00:34Z openaire_data community-mcarchive

Zhou, Jiaqi Zhou, Jiaqi Poncé, Samuel Charlier, Jean-Christophe 2024-09-06 The conversion efficiency from charge current to spin current via 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. text/markdown application/x-7z-compressed text/plain https://doi.org/10.24435/materialscloud:g7-pk oai:materialscloud.org:2138 mcid:2024.134 eng Materials Cloud https://doi.org/10.1038/s41524-024-01434-z https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:vn-bs info:eu-repo/semantics/openAccess Creative Commons Attribution Non Commercial Share Alike 4.0 International https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode Quantum ESPRESSO Wannier functions two-dimensional spin Hall effect electron-phonon coupling Enhanced spin Hall ratio in two-dimensional semiconductors info:eu-repo/semantics/other