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| Main Authors: | , , , , , , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2508.07061 |
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| _version_ | 1866908484297031680 |
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| author | Chen, Yanhui Lu, Hong-Yan Yang, Wenjin Liu, Meifeng Cui, Bin Liu, Desheng Huang, Bing Zuo, Xi |
| author_facet | Chen, Yanhui Lu, Hong-Yan Yang, Wenjin Liu, Meifeng Cui, Bin Liu, Desheng Huang, Bing Zuo, Xi |
| contents | In this work, we report a systematic study of the electronic structures, band topology, and intrinsic spin Hall effect (SHE) of the layered MAX carbides Mn+1AlCn (M= Nb, Ta, n=1, 2, 3) and explore the correlation effects on the SHE. The results show that M3AlC2 and M4AlC3 (M= Nb, Ta) share similar Dirac-band-crossing features near the Fermi level (EF) and form nodal lines in the absence of spin-orbit coupling (SOC). When the SOC is included, the Dirac band crossings are fully gapped, resulting in nontrivial Z2 topological invariants (1;000) with a pair of surface states on the (001) plane. Remarkably, the multiple gapped Dirac points contribute to locally strong spin Berry curvatures, which lead to large spin Hall conductivities and a giant spin Hall angle up to ~ 60% for Ta3AlC2. Moreover, we also elucidate the impact of Hubbard U correction on SHC. Our findings indicate that Ta3AlC2 might represent an intriguing layered Z2 topological metal with superior charge-to-spin conversion efficiency. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2508_07061 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Giant spin Hall effects and topological surface states in ternary-layered MAX carbides Mn+1AlCn (M= Nb, Ta, n=1, 2, 3) Chen, Yanhui Lu, Hong-Yan Yang, Wenjin Liu, Meifeng Cui, Bin Liu, Desheng Huang, Bing Zuo, Xi Mesoscale and Nanoscale Physics Materials Science Computational Physics In this work, we report a systematic study of the electronic structures, band topology, and intrinsic spin Hall effect (SHE) of the layered MAX carbides Mn+1AlCn (M= Nb, Ta, n=1, 2, 3) and explore the correlation effects on the SHE. The results show that M3AlC2 and M4AlC3 (M= Nb, Ta) share similar Dirac-band-crossing features near the Fermi level (EF) and form nodal lines in the absence of spin-orbit coupling (SOC). When the SOC is included, the Dirac band crossings are fully gapped, resulting in nontrivial Z2 topological invariants (1;000) with a pair of surface states on the (001) plane. Remarkably, the multiple gapped Dirac points contribute to locally strong spin Berry curvatures, which lead to large spin Hall conductivities and a giant spin Hall angle up to ~ 60% for Ta3AlC2. Moreover, we also elucidate the impact of Hubbard U correction on SHC. Our findings indicate that Ta3AlC2 might represent an intriguing layered Z2 topological metal with superior charge-to-spin conversion efficiency. |
| title | Giant spin Hall effects and topological surface states in ternary-layered MAX carbides Mn+1AlCn (M= Nb, Ta, n=1, 2, 3) |
| topic | Mesoscale and Nanoscale Physics Materials Science Computational Physics |
| url | https://arxiv.org/abs/2508.07061 |