Growth of graphene on 6H–SiC by molecular dynamics simulation

Classical molecular-dynamics simulations were carried out to study epitaxial growth of graphene on
6H–SiC(0001) substrate. It was found that there exists a threshold annealing temperature above which we
observe formation of graphitic structure on the substrate. To check the sensitivity of the simulation results, we
tested two empirical potentials and evaluated their reliability by the calculated characteristics of graphene, its
carbon-carbon bond-length, pair correlation function, and binding energy.
Key words: graphene, epitaxial growth, molecular dynamics