Computational analysis of visible frequency plasmonic properties of graphene on wide band gap heterostructures

Control over plasmonic properties and local electric field enhancement has become an essential aspect of many modern technologies. Here we investigate these phenomena in graphene / hexagonal boron nitride (G/h-BN) heterostructures positioned on silicon (Si) and silicon dioxide (SiO₂) substrates. Using finite element method for physics-based simulations of radio-frequency (RF) fields in optical range, we analyze electric field at the edges, on the flakes, and in the surrounding regions of the G/h-BN heterostructures. The results demonstrate that the electric field distribution around and within the heterostructure is strongly dependent on the thickness of graphene and h-BN flakes. The highest electric field amplification and focusing occurs at the G/h-BN edge for h-BN thicknesses between 80 and 100 nm on the Si substrate. In contrast, the SiO₂ substrate substantially reduces overall field intensity in the G/h-BN heterostructures in comparison to the Si and reference structure without h-BN. These findings provide a consistent theoretical explanation for previously reported experimental Raman spectroscopy data on G/h-BN heterostructures and corroborate the model of localized charge carrier accumulation at the nanoscale G/h-BN edges on Si substrates. Furthermore, the study provides predictions for optimal excitation frequencies and for tailoring graphene plasmonic features in visible spectral range with the use of diamond and other CMOS compatible materials.