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    Ab initio approach to collective excitations in excitonic insulators

    Fengyuan Xuan1,*, Jiexi Song1, and Zhiyuan Sun2,3,†

    • *Contact author: xuanfy@szlab.ac.cn
    • †Contact author: zysun@tsinghua.edu.cn

    Phys. Rev. B 113, 035117 – Published 8 January, 2026

    DOI: https://doi.org/10.1103/rdrs-ndjc

    Abstract

    An ab initio approach is presented for studying the collective excitations in excitonic insulators, charge/spin density waves, and superconductors. We derive the Bethe-Salpeter equation for the particle-hole excitations in the quasiparticle representation, from which the collective excited states are solved and the corresponding order parameter fluctuations are computed. This method is demonstrated numerically for the excitonic insulating phases of the biased WSe2−MoSe2 bilayer. It reveals the gapless phase mode, the subgap Bardasis-Schrieffer modes, and the above-gap scattering states. Our work paves the way for quantitative predictions of excited state phenomena from first-principles calculations in electronic systems with spontaneous symmetry breaking.

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