Electronic properties of hybrid graphene/nitrogene/graphene hetero-trilayers

Abstract

Abstract In this study, the electronic band structures of hybrid graphene/nitrogene/graphene hetero-trilayers (Grap/N/Grap HTLs) are investigated by using the first-principles calculation. This calculation reveals that both the nitrogene and graphene in the Grap/N/Grap HTL can preserve their intrinsic electronic properties via van der Waals interactions, which are stronger than those between graphene and phosphorene, h-BN, etc. Owing to the stronger electronegativity of N atoms, the Dirac point of graphene moves beyond the Fermi level because the electrons deviate from the C atoms, resulting in a typical p-type junction in the HTL. The asymmetric quantum confinement effect causes the upward movement of the Dirac point of the C-1 layer and C-2 layer in Grap/N/Grap HTL to 48.6 meV and 97.5 meV, respectively, above the Fermi level. Further calculations demonstrate that the variation in the interlayer separation can modulate the band splitting at the graphene's Dirac point in the hybrid Grap/N/Grap HTLs. The study of two-dimensional ultrathin hybrid Grap/N/Grap nano compositions is expected to prove their conducive to the fabrication of electronic devices.