Magnetic Exchange Mechanism and Quantized Anomalous Hall Effect in Bi2Se3 Film with a CrWI6 Monolayer

Magnetizing the surface states of topological insulators without damaging their topological features is a crucial step for realizing the quantum anomalous Hall (QAH) effect and remains a challenging task. The TI-ferromagnetic material interface system was constructed and studied by the density functional theory (DFT). A two-dimensional magnetic semiconductor CrWI₆ has been proven to effectively magnetize topological surface states (TSSs) via the magnetic proximity effect. The non-trivial phase was identified in the Bi₂Se₃ (BS) films with six quantum layers (QL) within the CrWI₆/BS/CrWI₆ heterostructure. BS thin films exhibit the generation of spin splitting near the TSSs, and a band gap of approximately 2.9 meV is observed at the Γ in the Brillouin zone; by adjusting the interface distance of the heterostructure, we increased the non-trivial band gap to 7.9 meV, indicating that applying external pressure is conducive to realizing the QAH effect. Furthermore, the topological non-triviality of CrWI₆/6QL-BS/CrWI₆ is confirmed by the nonzero Chern number. This study furnishes a valuable guideline for the implementation of the QAH effect at elevated temperatures within heterostructures comprising two-dimensional (2D) magnetic monolayers (MLs) and topological insulators.