Atomistic Simulations of Defects Production under Ion Irradiation in Epitaxial Graphene on SiC

Using first-principles and analytical potential atomistic simulations, production of defects in epitaxial graphene (EG) on SiC upon ion irradiation for types energies accessible helium-ion microscope is studied. Graphene-SiC systems consisting the buffer (zero) layer substrate, as well one (monolayer) two (bilayer) additional layers, are focused on. The probabilities single, double, more complex vacancies to appear impacts energetic ions each functions He- Ne-ion calculated data compared with those obtained free-standing graphene. results indicate that role substrate minimal He-ion above 5 keV, which can be associated a low sputtering yield from this system irradiation, common Si/SiO2 substrate. In contrast, has significant effect defect irradiation. serve guide experiments EG choose optimum beam parameters defect-mediated engineering such systems, example, creating nucleation centers grow other 2D materials, h-BN, top irradiated EG.