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    Strain engineering of superconductivity in the kagome metal CsV3Sb5: Combined first-principles and Eliashberg theory study

    D. Hu1, Yizhi Li2, Jianxin Zhong3, and Lijun Meng1,*

    • *Contact author: ljmeng@xtu.edu.cn

    Phys. Rev. B 114, 134105 – Published 21 September, 2026

    DOI: https://doi.org/10.1103/mk6j-3qk4

    Abstract

    The kagome metal CsV3Sb5 provides a unique platform for studying intertwined quantum orders. Combing first-principles calculations and the Eliashberg theory of electron-phonon coupling (EPC), this work reveals axial-strain effects on superconducting properties of the kagome metal CsV3Sb5 via EPC modulation. We demonstrate that compressive strains along distinct crystallographic directions induce contrasting phonon-mode responses: The c-axis compression softens M-point phonons while hardening L-point modes, whereas ab-plane strain directly enhances V-V orbital hybridization. These strain-induced electronic and lattice dynamics changes lead to nonmonotonic EPC evolution and monotonic suppression of superconducting transition temperature (Tc). Carrier doping further modulates superconductivity through dual mechanisms: Hole doping enhances EPC (λ up to 1.65) through phonon softening and Van Hove singularity (VHS) engineering, while electron doping suppresses it. Anisotropic Migdal-Eliashberg calculations indicate highly anisotropic superconducting gaps (e.g., 76.74% anisotropy under 8% c-axis strain), primarily governed by V d-orbital electrons. Moreover, self-consistent Bogoliubov–de Gennes (BdG) equations based on Wannier functions confirm that Tc decreases monotonically with increasing strain, consistent with Eliashberg-theory predictions. This study establishes axial-strain tuning strategies for optimizing Tc in kagome systems, providing theoretical insights for experimental manipulation of superconducting material properties.

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