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    Strain-engineered bipolar valley polarization in tetragonal systems

    Xikui Ma1,*, Lei Sun2,†, Yiyi Guo2, Yingcai Fan3, Juan Wang1, Hongxia Bu1, Naiqiang Yin1, and Mingwen Zhao2,*

    • *Contact author: mxk@qlnu.edu.cn
    • †Contact author: zmw@sdu.edu.cn

    Phys. Rev. B 113, 245406 – Published 1 June, 2026

    DOI: https://doi.org/10.1103/vczl-f22l

    Abstract

    The valley degree of freedom in tetragonal systems, governed by crystalline symmetry rather than time-reversal symmetry, offers a distinct paradigm for valleytronics compared to hexagonal systems. Combining symmetry-adapted tight-binding and first-principles calculations, we investigate strain-engineered valley physics in tetragonal monolayers featuring C4z and S4z symmetries. We unveil that the intrinsic valley-layer coupling within S4z symmetric systems, together with a giant bipolar out-of-plane piezoelectric response, enables significant and reversible valley polarization under bipolar in-plane uniaxial strain in the Hf2SiCO2 monolayer. This phenomenon arises from the interplay between strain-modified hopping integrals and the resulting crystal field potential, distinguishing it from traditional electric-field-driven mechanisms. Furthermore, the symmetry-allowed valley-contrasting linear dichroism under applied strain is notably robust. Our findings highlight strain-direction selectivity as a powerful strategy for achieving and controlling valley polarization, providing a general theoretical framework for mechanovalleytronics in tetragonal systems.

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