Large spontaneous valley polarization and anomalous valley Hall effect in antiferromagnetic monolayer Fe2CF2

作     者：San-Dong Guo Liguo Zhang Yiwen Zhang Ping Li Guangzhao Wang 

作者机构：School of Electronic Engineering State Key Laboratory for Mechanical Behavior of Materials School of Materials Science and Engineering Key Laboratory of Extraordinary Bond Engineering and Advanced Materials Technology of Chongqing School of Electronic Information Engineering 

出 版 物：《Physical Review B》 (Phys. Rev. B)

年 卷 期：2024年第110卷第2期

页      面：024416-024416页

核心收录：

基　　金：Shanxi Supercomputing Center of China Natural Science Basic Research Program of Shaanxi Province, (2021JM-456) Natural Science Basic Research Program of Shaanxi Province 

主　　题：Electronic structure Hall effect Magnetic order Valley degrees of freedom Valleytronics Antiferromagnets Density functional calculations 

摘      要：Superior to ferromagnetic (FM) materials, antiferromagnetic (AFM) materials do not have any net magnetic moment and are robust to external magnetic perturbation with ultrahigh dynamic speed. To achieve spontaneous valley polarization and anomalous valley Hall effect (AVHE) in AFM materials is of great significance for potential applications in spintronics and valleytronics. Here, we predict an A-type AFM monolayer Fe2CF2 with large spontaneous valley polarization. Monolayer Fe2CF2 has zero Berry curvature in momentum space but nonzero layer-locked hidden Berry curvature in real space, which provides the basic conditions for the realization of AVHE. Because Fe2CF2 possesses the combined symmetry (PT symmetry) of spatial inversion (P) and time reversal (T) symmetry, the spin is degenerate, which prevents the AVHE. An out-of-plane external electric field can be used to produce spin splitting due to the introduction of layer-dependent electrostatic potential, and then layer-locked AVHE can be realized in Fe2CF2. Moreover, the spin order of spin splitting can be reversed when the direction of electric field is reversed. It is proved that the AVHE can be achieved in Janus Fe2CFCl without external electric field due to intrinsic built-in electric field. Our works provide an AFM monolayer with excellent properties to realize AVHE.