Magnetism induced by cationic defect in monolayer ReSe 2 controlled by strain engineering

Abstract The formation and regulation of magnetism have attracted much attention because of its potential application in spintronics. The magnetic properties and electronic structure of ReSe2 with cationic defect under external strain are determined theoretically based on the density function theory. The tensile deformation induced by external strain not only leads to changes in defect formation energy but also regulate the magnetic characteristics. However, as compressed deformation induced by external strain increases, the magnetism in the structure with cationic defect will disappear sharply. It is interesting to note that the anionic defect cannot give rise to desired magnetism. This finding provides a way to construct anionic defect into ReSe2 monolayer with particular deformation to realize its magnetism.