Interfacing 2D VS2 with Janus MoSSe: Antiferromagnetic electric polarization and charge transfer driven Half-metallicity

Abstract

Half metallic 2D materials with 100% spin polarization at the fermi level can be applied to spintronics to enhance the device efficiency. We identified that the Janus MoSSe monolayer can induce halfmetallicity in the VS2 bilayer whose ground state magnetic order remains in an antiferromagnetic configuration. We established that half-metallicity in the bilayer VS2 is caused by the induced electric field originating from the out-of-plane electrical polarization of the Janus MoSSe layer, charge transfer between MoSSe and VS2 layers and inter layer hybridization in Mo and V atom d z2 orbitals. We also established that the Interlayer charge transfer between MoSSe and VS2 layers has largely reduced the required electric field to induce the half metallicity by shifting the electronic bands closer to the fermi level. Otherwise, inbuilt electrical polarization generated by Janus MoSSe layer becomes insufficient. This highlight that the external electric field which is required to induce half metallicity can be reduced by manipulating the charge transfer. These novel findings can be adopted to induce half metallic characteristics to many magnetic materials used in spintronic devices, and in the foreseeable future.