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    Engineering ideal two-dimensional type-II nodal line semimetals via stacking and intercalation of van der Waals layers

    Li Chen*, Junlan Shi*, Jiani Zhang, and Botao Fu†

    • College of Physics and Electronic Engineering, Center for Computational Sciences, Sichuan Normal University, Chengdu 610068, People's Republic of China

    • *These authors contributed equally to this work.
    • †Contact author: fubotao2008@gmail.com

    Phys. Rev. B 113, 245142 – Published 23 June, 2026

    DOI: https://doi.org/10.1103/stw7-rdfg

    Abstract

    Two-dimensional type-II topological semimetals (TSMs), characterized by strongly tilted Dirac cones, have attracted intense interest for their unconventional electronic properties and exotic transport behaviors. However, rational design remains challenging due to the sensitivity of band tilting to lattice geometry, atomic coordination, and symmetry constraints. Here, we present a bottom-up approach to engineer ideal type-II nodal line semimetals (NLSMs) in van der Waals bilayers via atomic intercalation. Using monolayer h-AlN as a prototype, we show that fluorine-intercalated bilayer AlN (F@BL-AlN) hosts a symmetry-protected type-II nodal loop around the EF, enabled by preserved mirror symmetry (Mz) and tailored interlayer hybridization. First-principles calculations reveal that fluorine not only tunes interlayer coupling but also aligns the Fermi energy with the nodal line, stabilizing the type-II NLSM phase. The system exhibits tunable electronic properties under external electric and strain fields and features a Van Hove singularity that induces spontaneous magnetism, undergoing a transition from a type-IV antiferromagnetic metal to a ferromagnetic topological semimetal with increasing strain. This work provides a versatile platform for designing type-II NLSMs and offers practical guidance for their experimental realization.

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