Manipulation of Intrinsic Quantum Anomalous Hall Effect in 2D MoYN₂CSCl Mxene

Abstract Quantum anomalous Hall effect (QAHE) is an innovative topological spintronic phenomenon with dissipationless chiral edge states and attracts rapidly increasing attention. However, it has only been observed in few materials in experiments. Here, according to first-principles calculations, we report that the MXene MoYN2CSCl shows a topologically nontrivial band gap of 37.3 meV, possessing QAHE with a Chern number of C = 1, which is induced by band inversion between d xz and d yz orbitals. Also, the topological phase transition for MoYN2CSCl can be realized via strain or by turning the magnetization direction. Remarkably, MoYN2CSCl shows the nodal-line semimetal state dependent on the electron correlation U. Our findings add an experimentally accessible and tunable member to QAHE family, which stands a chance of enriching the applications in spintronics.