The Enhanced Ferromagnetism of Single-Layer CrX3 (X=Br and I) by Van der Waals Engineering

Abstract: The recent experimental discovery of intrinsic ferromagnetism in single-layer CrI3 opens a new avenue to low-dimensional spintronics. However, the low Curie temperature Tc=45 K is still a large obstacle to its realistic device application. In this work, we demonstrate that the Tc and magnetic moment of CrX3(X=Br, I) can be enhanced simultaneously by coupling them to buckled two-dimensional Mene (M=Si, Ge) to form magnetic van der Waals (vdW) heterostructures. Our first-principles calculations reveal that n-doping of CrX3, induced by a significant spin-dependent interlayer charge transfer from Mene, is responsible for its drastic enhancement of Tc and magnetic moment. Furthermore, the diversified electronic properties including halfmetallicity and semi-conductivity with configuration dependent energy gap are also predicted in this novel vdW heterostructure, implying their broad potential applications in spintronics. Our study suggests that the vdW engineering may be an efficient way to tune the magnetic properties of 2D magnets, and the Mene_CrX3 magnetic vdW heterostructures are wonderful candidates in spintronics and nanoelectronics device.