Edge modes in zigzag and armchair ribbons of monolayer MoS2.

ABSTRACT

We explore the electronic structure, orbital character and topological aspect of a monolayer MoS2 nanoribbon using tight-binding (TB) and low-energy ([Formula see text]) models. We obtain a mid-gap edge mode in the zigzag ribbon of monolayer MoS2, which can be traced back to the topological properties of the bulk band structure. Monolayer MoS2 can be considered as a valley Hall insulator. The boundary conditions at armchair edges mix the valleys on the edges, and a gap is induced in the edge modes. The spin-orbit coupling in the valence band reduces the hybridization of the bulk states.