Distinct ferrovalley characteristics of the Janus RuClX (X = F, Br) monolayer

Abstract

Two-dimensional ferrovalley materials should simultaneously possess three characteristics, that is, a Curie temperature beyond atmospheric temperature, perpendicular magnetic anisotropy, and large valley polarization for potential commercial applications. In this report, we predict two ferrovalley Janus RuClX (X = F, Br) monolayers by first-principles calculations and Monte Carlo simulations. The RuClF monolayer exhibited a valley-splitting energy as large as 194 meV, perpendicular magnetic anisotropy energy of 187 μeV per f.u., and Curie temperature of 320 K. Thus, spontaneous valley polarization at room temperature will be present in the RuClF monolayer, which is nonvolatile for spintronic and valleytronic devices. Although the valley-splitting energy of the RuClBr monolayer was as high as 226 meV with magnetic anisotropy energy of 1.852 meV per f.u., the magnetic anisotropy of the RuClBr monolayer was in-plane, and its Curie temperature was only 179 K. The orbital-resolved magnetic anisotropy energy revealed that the interaction between the occupied spin-up states of d_yz and the unoccupied spin-down states of d_z² dominated the out-of-plane magnetic anisotropy in the RuClF monolayer, but the in-plane magnetic anisotropy of the RuClBr monolayer was mostly contributed by the coupling of the d_xy and d_x²−y² orbitals. Interestingly, the valley polarizations in the Janus RuClF and RuClBr monolayers appeared in their valence band and conduction band, respectively. Thus, two anomalous valley Hall devices are proposed using the present Janus RuClF and RuClBr monolayers with hole and electron doping, respectively. This study provides interesting and alternative candidate materials for the development of valleytronic devices.