4.6 Article

Prediction of intrinsic two dimensional ferromagnetism realized quantum anomalous Hall effect

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PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 21, 期 12, 页码 6712-6717

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ROYAL SOC CHEMISTRY
DOI: 10.1039/c8cp07781a

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Recently, the discovery of intriguing properties in intrinsic two dimensional ferromagnetism has spurred huge interest in investigating their applications in spintronics. Here, we predict that the monolayer of FeX3 (X = Cl, Br, I) possesses a quantum anomalous Hall insulating phase generated by the honeycomb lattice of iron atoms. We find that the ground state of FeX3 is a 100% spin polarized Dirac half metal with a ferromagnetic Curie temperature T-c = 116-175 K predicted from Monte Carlo simulations. Taking into account the spin orbit coupling, the Dirac cone opens a global band gap of 8.4-36 meV. The anomalous Hall conductivity calculation shows the Chern number C = -1, indicating the presence of a single chiral edge state in nanoribbons of finite width. Moreover, we also find the critical value U-c when we perform DFT+U calculations. The band gap firstly increases and then gradually decreases while keeping C = -1 for 0 < U < U-c, a metallic phase of E-gap = 0 appears at U-c, and a gap opens for a trivial Mott insulating phase of C = 0 for U > U-c. Our work adds an experimentally feasible member to the quantum anomalous Hall insulator family, which is hoped to have great application potential in spintronics and nanoelectronics.

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