Computer Modeling of Graphene Moiré Pattern on Al(111) Surface

In this paper the computer behavior of graphene on the surface of Al(111) substrate is carried out. The Lennard-Jones pair potential describe the interaction of atoms. The parameters of the potential are determined from experimental values for the period of non-interacting substances. The equilibrium condition for the graphene film on the substrate surface is determined from the condition of minimum potential energy of the system. Calculations show that it is energetically favorable for graphene to form deformations perpendicular to the substrate. These deformations form a moiré pattern that has a period. This period depends on the orientation of graphene relative to the main directions of the crystal lattice of the substrate. The comparison with experimental data is carried out.