High Curie-temperature intrinsic ferromagnetism and hole doping-induced half-metallicity in two-dimensional scandium chlorine monolayers

Abstract

Two-dimensional (2D) ferromagnetic materials provide new platforms for spintronic applications, but most of the reported 2D magnetic orderings can only be maintained at low temperature. The search for high Curie temperature intrinsic ferromagnetism is still a current hotspot. Herein through comprehensive first-principles calculations and Monte Carlo simulation, we predict a promising 2D scandium chlorine (ScCl) monolayer with intrinsic ferromagnetism and a Curie temperature of 185 K, which is much higher than that of the reported CrI₃ monolayer (45 K) and the boiling point of liquid nitrogen (77 K). Moreover, a small amount of hole doping can induce a transition from a ferromagnetic metal to a half-metal. Furthermore, the ScCl monolayer possesses excellent thermal and dynamical stabilities as well as feasibility of experimental exfoliation from its layered bulk. These intriguing electronic and magnetic properties make the ScCl monolayer a promising candidate for spintronic applications.