High-throughput calculations of spin Hall conductivity in non-magnetic 2D materials
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arXiv
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| Auteurs principaux: | , , |
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| Format: | Preprint |
| Publié: |
2025
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| _version_ | 1866915286896082944 |
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| author | Zhou, Jiaqi Poncé, Samuel Charlier, Jean-Christophe |
| author_facet | Zhou, Jiaqi Poncé, Samuel Charlier, Jean-Christophe |
| contents | Spin Hall effect (SHE) in two-dimensional (2D) materials is promising to effectively manipulate spin angular momentum and identify topological properties. In this work, we implemented an automated Wannierization with spin-orbit coupling on 426 non-magnetic monolayers including 210 metal and 216 insulators. Intrinsic spin Hall conductivity (SHC) has been calculated to find candidates exhibiting novel properties. We discover that Y$_2$C$_2$I$_2$ has an unconventional SHE with canted spin due to low crystal symmetry, Ta$_4$Se$_2$ is a metallic monolayer with exceptionally high SHC, and the semi-metal Y$_2$Br$_2$ possesses efficient charge-to-spin conversion induced by anti-crossing in bands. Moreover, quantum spin Hall insulators are investigated for quantized SHC. The present work provides a high-quality Wannier Hamiltonian database of 2D materials, and paves the way for the integration of 2D materials into high-performance and low-power-consumption spintronic devices. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2501_02110 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | High-throughput calculations of spin Hall conductivity in non-magnetic 2D materials Zhou, Jiaqi Poncé, Samuel Charlier, Jean-Christophe Computational Physics Mesoscale and Nanoscale Physics Spin Hall effect (SHE) in two-dimensional (2D) materials is promising to effectively manipulate spin angular momentum and identify topological properties. In this work, we implemented an automated Wannierization with spin-orbit coupling on 426 non-magnetic monolayers including 210 metal and 216 insulators. Intrinsic spin Hall conductivity (SHC) has been calculated to find candidates exhibiting novel properties. We discover that Y$_2$C$_2$I$_2$ has an unconventional SHE with canted spin due to low crystal symmetry, Ta$_4$Se$_2$ is a metallic monolayer with exceptionally high SHC, and the semi-metal Y$_2$Br$_2$ possesses efficient charge-to-spin conversion induced by anti-crossing in bands. Moreover, quantum spin Hall insulators are investigated for quantized SHC. The present work provides a high-quality Wannier Hamiltonian database of 2D materials, and paves the way for the integration of 2D materials into high-performance and low-power-consumption spintronic devices. |
| title | High-throughput calculations of spin Hall conductivity in non-magnetic 2D materials |
| topic | Computational Physics Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2501.02110 |