Enhanced Spin Hall Ratio in Two-Dimensional Semiconductors

Fuente: arXiv
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Main Authors: Zhou, Jiaqi, Poncé, Samuel, Charlier, Jean-Christophe
Format: Preprint
Published: 2023
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author Zhou, Jiaqi
Poncé, Samuel
Charlier, Jean-Christophe
author_facet Zhou, Jiaqi
Poncé, Samuel
Charlier, Jean-Christophe
contents 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 Sc$_2$CCl$_2$ is identified with the proposed descriptor and confirmed by computation, demonstrating the descriptor validity for high SHR materials discovery.
format Preprint
id arxiv_https___arxiv_org_abs_2308_13692
institution arXiv
publishDate 2023
record_format arxiv
spellingShingle Enhanced Spin Hall Ratio in Two-Dimensional Semiconductors
Zhou, Jiaqi
Poncé, Samuel
Charlier, Jean-Christophe
Materials Science
Computational Physics
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 Sc$_2$CCl$_2$ is identified with the proposed descriptor and confirmed by computation, demonstrating the descriptor validity for high SHR materials discovery.
title Enhanced Spin Hall Ratio in Two-Dimensional Semiconductors
topic Materials Science
Computational Physics
url https://arxiv.org/abs/2308.13692