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    Topological quantum effects in ferroelectric α−In2Se3 thin films via 3d transition metal doping

    Xinyang Gao1, Bao Zhao2,3, Yusheng Hou4, Xilin Zhang1, Yanxing Zhang1,*, Zongxian Yang1,†, and Ruqian Wu5,‡

    • *Contact author: zhangyanxing@htu.edu.cn
    • †Contact author: yzx@htu.edu.cn
    • ‡Contact author: wur@uci.edu

    Phys. Rev. B 113, 155434 – Published 20 April, 2026

    DOI: https://doi.org/10.1103/nht7-45nj

    Abstract

    Most topological insulators suffer from intrinsically narrow band gaps, limiting their practical applications. Using tight-binding modeling and first-principles calculations, we show that in the topological state and band gap of the ferroelectric bilayer α−In2Se3 (2L−In2Se3) can be effectively tuned by controlling the hybridization strength (Vhyb) between Se px/py and s/pz orbitals through transition metal substitution at In sites. This mechanism is demonstrated in a ScInSe3/In2Se3 van der Waals Heterostructure (vdWH), where enhanced charge transfer from Sc d states to Se atoms strengthens the px/py−s/pz orbitals' hybridization and enlarges the quantum spin Hall gap to 36 meV. Magnetic Cr substitution further yields a CrInSe3/In2Se3 vdWH with a sizable ∼110 meV quantum anomalous Hall gap and compressive strain-driven topological phase transitions—from a trivial magnetic insulator (C=0) to a Chern insulator (C=1), and finally, to a magnetic topological metal (C=2). These results establish a viable strategy for engineering band gaps and topological phases for low-power spintronic and quantum technologies.

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