Orbital-Selectivity-Induced Robust Quantum Anomalous Hall Effect in Hund’s Metals MgFeP

Ferromagnetic (FM) states with high Curie temperatures (Tc) and strong spin–orbit coupling (SOC) are indispensable for the long-sought room-temperature quantum anomalous Hall (QAH) effects. Here, we propose a two-dimensional (2D) iron-based monolayer MgFeP that exhibits a notably high FM Tc (about 1525 K) along with exceptional structural stabilities. The unique multiorbital nature in MgFeP, where localized dx2−y2 and dxz/yz orbitals coexist with itinerant dxy and dz2 orbitals, renders the monolayer a Hund’s metal and in an orbital-selective Mott phase (OSMP). This OSMP triggers an FM double exchange mechanism, rationalizing the high Tc in the Hund’s metal. This material transitions to a QAH insulator upon consideration of the SOC effect. By leveraging orbital selectivity, the QAH band gap can be enlarged by more than two times (to 137 meV). Our findings showcase Hund’s metals as a promising material platform for realizing high-performance quantum topological electronic devices.