Magnetism induced by cationic defect in monolayer ReSe2 controlled by strain engineering

• Published in: Applied surface science Vol. 425; pp. 696 - 701
• Main Authors: Meng, M., Shi, C.G., Li, T., Shi, S.E., Li, T.H., Liu, L.Z.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15-12-2017
• Subjects: First-principle calculation; Magnetism; Monolayer ReSe2; First-principle calculation; Magnetism; Monolayer ReSe2; 73.20.At; 74.78.Fk; 73.30.+y
• ISSN: 0169-4332; 1873-5584
• DOI: 10.1016/j.apsusc.2017.06.266

•Symmetry breaking is achieved by defect introduction that modulates its electronic structure.•Redistribution of electronic cloud induced by cationic defect leads to desirable magnetism.•Combined action of defect and strain causing its magnetism modification.
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.