Export citation

Export citation

Choose format for download:

Download Citation

    Prediction of superconductivity and charge density wave in monolayer h−BN via functionalization with Si-N layer

    Shu-Ying Shang1, Shu-Xiang Qiao1, Yu-Lin Han1, Kai-Yue Jiang1, Na Jiao1, Ping Zhang1,2, and Hong-Yan Lu1,*

    • *Contact author: hylu@qfnu.edu.cn

    Phys. Rev. B 113, 094504 – Published 6 March, 2026

    DOI: https://doi.org/10.1103/jmys-zkgs

    Abstract

    Inspired by the successful synthesis of two-dimensional (2D) MoSi2N4 and WSi2N4 [Y. L. Hong et al., Science 369, 670 (2020)], which demonstrates that Si-N layers can act as effective modification layers on 2D materials, we investigate superconductivity and charge density waves (CDWs) of hexagonal boron nitride (h−BN) passivated with a Si-N layer based on first-principles calculations. Our results demonstrate that h-BN undergoes a transition from an insulator to a phonon-mediated superconductor with the transition temperature (Tc) of 14.3 K when it is functionalized with a Si-N layer on one side. The electron-phonon coupling (EPC) of BN2Si is primarily attributed to the coupling between electrons in N-pz orbitals and the low-frequency in-plane vibrational modes of Si and N atoms, as well as higher-frequency out-of-plane vibration modes of N and B atoms. By applying 5% biaxial tensile strain, the EPC constant λ increases from 0.66 to 1.82, resulting in a significantly enhanced Tc of 34.9 K. However, when the biaxial tensile strain reaches 6%, an obvious soft mode emerges in the lowest acoustic branch of phonon curves, indicating the presence of a CDW. The origin of the instabilities is analyzed based on Lindhard electron susceptibility and the phonon linewidths, revealing that the CDW is driven by both Fermi-surface nesting and EPC. Thus, the predicted BN2Si presents a promising platform for exploring 2D superconductivity and CDWs.

    Physics Subject Headings (PhySH)

    Authorization Required

    We need you to provide your credentials before accessing this content.

    Supplemental Material (Subscription Required)

    References (Subscription Required)

    Outline

    Information

    Sign In to Your Journals Account

    Filter

    Filter

    Article Lookup

    Enter a citation