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    Coexistence of giant auxeticity and topological order in γ−X (X=N, P, As, Sb, Bi)

    Ping Li*, Lechen Han, Junguang Zhan, Wenbin Chen, Kai Huang, Jinrong Xu, Jiangying Yu, and Xinhua Li

    • *Contact author: liping@ahjzu.edu.cn

    Phys. Rev. Materials 10, 104004 – Published 13 October, 2026

    DOI: https://doi.org/10.1103/qxp4-rg3f

    Abstract

    We report a family of two-dimensional (2D) rectangular γ−X (X=N, P, As, Sb, Bi) materials that simultaneously exhibit topologically nontrivial properties and ultra-large, strain-sensitive negative Poisson's ratios (NPRs). According to first-principles calculations, the γ−X single layers (SLs) exhibit excellent mechanical, dynamic, and thermodynamic stability, with strongly anisotropic electronic structures and mechanical properties. At equilibrium, γ-Bi SL is a 2D topological insulator (TI), which has a PBE band gap of 0.06 eV and a HSE06 energy gap of 0.13 eV. Though γ-N, P, As, and Sb SLs are trivial insulators, biaxial tensile strain can trigger a topological phase transition, transforming them into 2D TIs. Mechanically, γ-P, As, Sb, and Bi SLs exhibit NPRs ranging from −0.002 to −0.066, and all the SLs, including γ-N SL, show strongly strain-dependent in-plane and out-of-plane NPRs. Remarkably, the uniaxial compression along the armchair direction induces a giant out-of-plane NPR of −2.864 in γ-P SL, far exceeding the NPR values in previously reported auxetic materials. Moreover, these SLs can withstand ultimate tensile strains along the zigzag direction ranging from 2% to 52%. The van der Waals layered 3D counterparts of γ−X also exhibit strong anisotropy and NPRs, with maximum magnitudes between −0.052 and −1.290.

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