ArXiv · 2025
Discovering the quantum anomalous Hall (QAH) effect in two-dimensional magnets is a central goal of topological condensed matter physics, yet candidate materials combining a sizable gap with a well-defined Chern number remain scarce. We report a new material platform that realizes emergent magnetism and nontrivial band topology within the largely overlooked family of two-dimensional MN₈ monolayers. Through first-principles calculations, we reveal that these systems exhibit out-of-plane magnetic ground states and nontrivial topological features driven by the localized d-orbitals of the embedded transition metals. Remarkably, we identify TiN₈ as a quantum anomalous Hall insulator characterized by a Chern number of C=-1 with a large topological gap of 223 meV. As a companion system, MoN₈ is predicted to be a rare high-Chern-number QAH insulator, with a Chern number of C=2, although its much smaller gap of 12 meV renders it more fragile. These findings establish the penta-MN₈ family as a versatile and promising platform to realize exotic topological quantum states. This work not only broadens the material landscape for magnetic topological insulators but also lays a solid theoretical foundation for the development of next-generation spintronic and quantum computing devices.
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