We study the electronic structures and scanning tunneling microscopy (STM) images of heterostructures consisting of pristine h-BN, graphene, and C-doped h-BN layers using first-principles total-energy calculations within the framework of the density functional theory. We find that substitutional doping of a C atom at B and N sites in the h-BN layer induces the different charge carrier types and asymmetric carrier densities on the graphene layer. We also find that C-atom impurity state can be clearly observed in the STM image when a C atom is doped at the N site in the h-BN layer. We discuss the relationship between the STM images and the spatial distribution of the C-induced impurity state.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)