Tunable electronic and magnetic properties of monolayer MoS2 on decorated AlN nanosheets: a van der Waals density functional study

Abstract

In this study, structural, electronic, and magnetic properties of monolayer MoS₂ on decorated AlN nanosheets have been systematically investigated using density functional theory with van der Waals corrections. The results indicate that the surface microstructure of the AlN substrate and stacking patterns significantly affect the electronic and magnetic properties of heterostructures. Moreover, the n type semiconductor to p type semiconductor to metal transition accompanied with the nonmagnetic to magnetic transfer can be achieved for monolayer MoS₂. The diverse electronic and magnetic properties highlight the potential of MoS₂ nanosheets for applications in electronics and spintronics.