Enhanced Spin Hall Ratio in Two-Dimensional Semiconductors
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arXiv
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| Main Authors: | , , |
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| Format: | Preprint |
| Published: |
2023
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| _version_ | 1866913566527848448 |
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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 |