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    Excitons in two-dimensional inversion-symmetry-breaking tetragonal monolayers: The role of intrinsic built-in electric potential difference

    Ziwei Zhao1,*, Li Xiang1,*, Yaqi Deng1, Xu Li1, Juexian Cao1,2, and Wangping Xu1,2,†

    • 1Hunan Institute of Advanced Sensing and Information Technology, Xiangtan University, Xiangtan, Hunan 411105, People's Republic of China
    • 2Hunan Provincial Key Laboratory of Smart Carbon Materials and Advanced Sensing, Xiangtan University, Xiangtan 411105, People's Republic of China

    • *These authors contributed equally to this work.
    • †Contact author: xuwp@xtu.edu.cn

    Phys. Rev. B 113, 045406 – Published 5 January, 2026

    DOI: https://doi.org/10.1103/n886-j9xq

    Abstract

    Excitonic properties of two-dimensional (2D) crystals are of broad interest for luminescent devices. In 2D inversion-symmetry-breaking tetragonal crystals, a robust linear scaling holds between exciton binding energy (Eb) and quasiparticle band gap (EQP), namely, Eb=3/8EQP. However, how the built-in potential difference in 2D inversion-symmetry-breaking tetragonal crystals affects the scaling coefficient and the exciton radiative lifetimes remains unclear. Therefore, we systematically investigate excitonic properties and carrier mobility in such crystals using k·p perturbation theory, the screened hydrogen model, high-precision G0W0, and the Bethe-Salpeter equation (BSE). Our results indicate that the built-in potential difference weakens electron-hole coupling, reducing both EQP and Eb, and leading to a slightly shorter exciton radiative lifetime. Importantly, the exciton lifetime (up to 2.15 ps) remains significantly larger than in 2D hexagonal crystals, and the linear scaling between Eb and EQP persists in the inversion-symmetry-breaking tetragonal crystals. Furthermore, all the materials exhibit high carrier mobility, which is more than two orders of magnitude higher than that of MoS2 and WS2. Our findings not only deepen the fundamental understanding of exciton properties in 2D tetragonal crystals but also suggest a viable strategy for exploring high-performance optoelectronic devices.

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