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 N\'{e}el-type antiferromagnetic semiconductor MnPS3, 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 N\'{e}el 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.
@article{arxiv.2504.14821,
title = {Band-spin-valley coupled exciton physics in antiferromagnetic MnPS$_3$},
author = {Dan Wang and Haowei Chen and Yu Pang and Xiaolong Zou and Wenhui Duan},
journal= {arXiv preprint arXiv:2504.14821},
year = {2025}
}