Band-spin-valley coupled exciton physics in antiferromagnetic MnPS$_3$
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| Main Authors: | , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866914051752198144 |
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| author | Wang, Dan Chen, Haowei Pang, Yu Zou, Xiaolong Duan, Wenhui |
| author_facet | Wang, Dan Chen, Haowei Pang, Yu Zou, Xiaolong Duan, Wenhui |
| contents | The introduction of intrinsic magnetic order in two-dimensional (2D) semiconductors offers great opportunities for investigating correlated excitonic phenomena. Here, we employ full-spinor GW plus Bethe-Salpeter equation methodology to reveal rich exciton physics in a prototypical 2D Néel-type antiferromagnetic semiconductor MnPS$_3$, enabled by the interplay among inverted dispersion of the second valence band, spin-valley coupling and magnetic order. The negative hole mass increases the reduced mass of the lowest-energy bright exciton, leading to exchange splitting enhancement of the bright exciton relative to band-edge dark exciton. Notably, such splitting couples with spontaneous valley polarization to generate distinct excitonic fine structure between $K$ and $-K$ valleys, which dictate distinct relaxation behaviors. Crucially, magnetic order transition from Néel antiferromagnetic to ferromagnetic state induces significant quasiparticle band structure reconstruction and excitonic transitions modification, with low-energy optical excitations being exclusively contributed by majority-spin channel. These findings establish 2D antiferromagnetic semiconductors as an intriguing platform to study band-spin-valley coupled exciton physics. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2504_14821 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Band-spin-valley coupled exciton physics in antiferromagnetic MnPS$_3$ Wang, Dan Chen, Haowei Pang, Yu Zou, Xiaolong Duan, Wenhui Materials Science The introduction of intrinsic magnetic order in two-dimensional (2D) semiconductors offers great opportunities for investigating correlated excitonic phenomena. Here, we employ full-spinor GW plus Bethe-Salpeter equation methodology to reveal rich exciton physics in a prototypical 2D Néel-type antiferromagnetic semiconductor MnPS$_3$, enabled by the interplay among inverted dispersion of the second valence band, spin-valley coupling and magnetic order. The negative hole mass increases the reduced mass of the lowest-energy bright exciton, leading to exchange splitting enhancement of the bright exciton relative to band-edge dark exciton. Notably, such splitting couples with spontaneous valley polarization to generate distinct excitonic fine structure between $K$ and $-K$ valleys, which dictate distinct relaxation behaviors. Crucially, magnetic order transition from Néel antiferromagnetic to ferromagnetic state induces significant quasiparticle band structure reconstruction and excitonic transitions modification, with low-energy optical excitations being exclusively contributed by majority-spin channel. These findings establish 2D antiferromagnetic semiconductors as an intriguing platform to study band-spin-valley coupled exciton physics. |
| title | Band-spin-valley coupled exciton physics in antiferromagnetic MnPS$_3$ |
| topic | Materials Science |
| url | https://arxiv.org/abs/2504.14821 |