Formation of a one-dimensional hole channel in MoS₂ by structural corrugation

Abstract We have investigated the energetics and electronic structure of monolayer MoS 2 with periodic structural corrugations by density functional theory. The total energy of corrugated MoS 2 slightly increases with increasing corrugation height, which indicates that the MoS 2 sheet intrinsically and extrinsically possesses nanometer scale structural corrugation. The corrugation causes an upward shift of the valence band edge and a downward shift of the conduction band edge owing to the local strain at the wrinkle peak. Accordingly, by injecting holes using the external electric field, the corrugation leads to a one-dimensional conducting channel in the MoS 2 sheet. This indicates that corrugation is a plausible procedure to control the dimensionality of the electrons and holes in two-dimensional materials without implementing one-dimensional boundary conditions.