Prediction of High Chern Number Quantum Anomalous Hall Effect in NaV_<b>3</b>I_<b>8</b> and LiV_<b>3</b>I_<b>8</b> Monolayer

The design of quantum anomalous Hall (QAH) materials with high working temperature and high Chern numbers has garnered significant attention due to their potential in spintronics and quantum computing. In this work, we predict two types of 2D monolayers, LiV3I8 and NaV3I8, as stable QAH candidates based on density functional theory calculations. Without spin–orbit coupling (SOC), both monolayers are found to be robust FM Weyl half metals with wide band gaps (>1.0 eV) in the insulating spin channels. When SOC is considered, both systems turn out to be QAH metals with high Chern numbers |C| = 3. In addition, the electronic and magnetic properties of the LiV3I8 and NaV3I8 monolayers can be manipulated by applying biaxial strains. Our study enriches the family of QAH materials and paves the way for designing high-performance spintronic devices.