Dataset of "Computational Analysis of Visible Frequency Plasmonic Properties of Graphene on Wide Band Gap Heterostructures"

Control of plasmonic properties and generally electric field enhancement has become essential part of many current technologies. Here we explore such properties of graphene / hexagonal boron nitride (G/h-BN) heterostructures when positioned on Si or SiO2 substrates. Using the finite element method for physics-based RF field simulations, the study examines electric field enhancement at the edges, on flakes and surrounding surfaces of the G/h-BN heterostructures. On the theoretical foundations the study demonstrates that the electric field distribution around and inside the heterostructure is strongly influenced by the thickness of both graphene and h-BN. Thinner graphene layers exhibit pronounced field increase and focusing at the h-BN edge due to sharp geometrical features and localized charge carrier accumulation. The highest electric field enhancement is observed for a thin (ideally single layer) graphene at the G/h-BN edge between 80 - 100 nm of h-BN on Si substrate. On the other hand, SiO2 substrate significantly suppresses overall field intensity and its enhancement. These theoretical simulations explain previously reported experimental Raman spectroscopy data on G/h-BN heterostructures. The study thus opens prospects for further comprehensive predictive modelling for tailoring graphene plasmonic features with other materials and nanostructures.