Topological Phase and Quantum Anomalous Hall Effect in Ferromagnetic Transition-Metal Dichalcogenides Monolayer 1T-VSe2.

Magnetic two-dimensional (2D) van der Waals materials have attracted tremendous attention because of their high potential in spintronics. In particular, the quantum anomalous Hall (QAH) effect in magnetic 2D layers shows a very promising prospect for hosting Majorana zero modes at the topologically protected edge states in proximity to superconductors. However, the QAH effect has not yet been experimentally realized in monolayer systems to date. In this work, we study the electronic structures and topological properties of the 2D ferromagnetic transition-metal dichalcogenides (TMD) monolayer 1T−VSe2 by first-principles calculations with the Heyd–Scuseria–Ernzerhof (HSE) functional. We find that the spin-orbit coupling (SOC) opens a continuous band gap at the magnetic Weyl-like crossing point hosting the quantum anomalous Hall effect with Chern number C=2. Moreover, we demonstrate the topologically protected edge states and intrinsic (spin) Hall conductivity in this magnetic 2D TMD system. Our results indicate that 1T−VSe2 monolayer serves as a stoichiometric quantum anomalous Hall material.