The Quantum Anomalous Hall Effect in Two-Dimensional Hexagonal Monolayers Studied by First-Principles Calculations

The quantum anomalous Hall effect (QAHE) demonstrates the potential for achieving quantized Hall resistance without the need for an external magnetic field, making it highly promising for reducing energy loss in electronic devices. Its realization and research rely heavily on precise first-principles calculations, which are essential for analyzing the electronic structures and topological properties of novel two-dimensional (2D) materials. This review article explores the theoretical progress of QAHE in 2D hexagonal monolayers with strong spin-orbit coupling and internal magnetic ordering. We summarize current strategies and methods for realizing QAHE in these monolayers, focusing on material selection and fine-tuning to achieve stable QAHE at room temperature. We hope that this review will provide new perspectives for theoretical studies and enable researchers to more accurately predict materials with superior QAHE properties. Meanwhile, we anticipate that these theoretical advancements will further drive breakthroughs in experimental studies and promote its broader application in low-power electronic devices and quantum information technology.