Coexistence of valley polarization and Chern insulating states in MoS2 monolayers with n-p codoping

Abstract

The electronic and topological properties of MoS2 monolayers with n-p codoping effect are investigated by using first-principles calculations. Two types of the doped Nb atoms play the roles of the p-type and n-type dopants, respectively. The n-p codoping is found inducing a large valley polarization, associated with the strong magnetization induced by the Nb dopants. Interestingly, the system simultaneously owns a perfect Chern insulating band gap opened exactly at the Fermi level. The nontrivial band gap comes from the lifting of the degeneracy of the dxz and dyz orbitals of Nb2 atoms after the spin-orbit coupling is considered. Our work inspires exciting prospects to tune the novel properties of materials with n-p codoping effects.