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    Modulation of the first-bright excitonic state in MoXYN4/WXYN4 (X, Y=Si, Ge) Janus heterobilayers

    Huiwen Luo1, Gencai Guo1,2,*, Siwei Luo1,2, Chaoyu He1,2, Chao Tang1, and Jianxin Zhong1,2

    • 1Hunan Key Laboratory for Micro-Nano Energy Materials and Devices, Laboratory for Quantum Engineering and Micro-Nano Energy Technology, and School of Physics and Optoelectronics, Xiangtan University, Hunan 411105, China
    • 2Institute for Quantum Science and Technology, Shanghai University, Shanghai 200444, China

    • *Contact author: ggc@xtu.edu.cn

    Phys. Rev. B 112, 115425 – Published 18 September, 2025

    DOI: https://doi.org/10.1103/8js1-d5wf

    Abstract

    Materials with bright excitons as the ground state are considered ideal platforms in the fields of light emission and light absorption. However, in systems with strong spin-orbit coupling, dark excitons that are exempt from spin selection rules become the ground state, leading to degraded optoelectronic performance. Two-dimensional Janus heterobilayers, with their stable intrinsic electric field from symmetry breaking, offer a promising tuning strategy for modifying excitonic states. In this work, the MoXYN4/WXYN4 (X, Y=Si, Ge) heterobilayers are constructed, and their electronic and excitonic properties are calculated using the GW-BSE method. The results reveal that the synergistic interface effects and the Janus intrinsic electric field significantly modify the band alignment (type II→type I) and control the relative position of the first-bright excitonic state within the overall excitonic states, i.e., the energy difference between first-dark and first-bright excitonic states exhibits a significant increase (0.218→0.836eV) or decrease (0.218→0.017eV), rendering the bright exciton effectively quasidegenerate with the ground state. This work provides an important theoretical basis for the performance optimization of optoelectronic devices and deepens the understanding of exciton physics of materials.

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