Quantum Anomalous Hall State and Weyl Nodal Line Semimetal State in Room Temperature Magnetic VTiCF2 Monolayer

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Two-dimensional MXenes exhibit exceptional magnetic and topological properties, making them promising for spintronic devices. Herein, we investigate the electronic and magnetic characteristics of HHH- and HTT-phase bimetallic VTiCF₂ monolayers via first-principles calculations. Our results show the HHH-phase VTiCF₂ is a robust out-of-plane ferromagnetic (FM) half-metal with an ultrahigh Curie temperature (TC) of 1020 K. Incorporating spin-orbital coupling (SOC) transforms it into a quantum anomalous Hall (QAH) insulator with a 36.59 meV band gap and Chern number C = 1. In contrast, the HTT-phase is a ferrimagnetic (FIM) nodal-line semimetal with in-plane magnetization and TC = 494 K. Notably, the HHH-phase retains QAH properties under biaxial strains, while the HTT-phase undergoes FIM-to-FM transition at 3% biaxial tensile strain. These findings expand functional MXene libraries and provide a candidate for room-temperature spintronic devices.

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