An ab initio study of the ferroelectric In2Se3/graphene heterostructure

摘要

Using ab initio calculations, we have investigated the electronic structure properties of the ferroelectric alpha-In2Se3/graphene heterostructure. The presence of an intrinsic polarization in In2Se3 shifts the Dirac point of graphene above the Fermi level, resulting in a p-type doping, the degree of doping being dependent on the direction of the dipole with respect to the graphene layer. Also, we found that an external electric field can be used to control not only the degree of doping but also the type of Schottky contact, as n-type, p-type or Ohmic.