A first-principles study of magnetic variation via doping vacancy in monolayer VS2

The electronic structure and magnetic properties are investigated by first-principles calculations in monolayer VS2 by doping S vacancy. Three kinds of doping monolayer VS2 are investigated. The structural defects have significant influence on the electronic and magnetic properties of the material. The results unveil that the magnetic moment is determined by the strength of the V-S covalent bond and the charge distribution around the vacancies. We believe that the calculated results will be fit for experimental verification and implementation, opening an effective path for the exploration of two-dimensional spintronic devices.