Atomistic simulation of energy and temperature effects in the deposition and implantation of amorphous carbon thin films

Molecular dynamics simulations of carbon deposition and implantation are performed using the newly developed environment dependent interaction potential. Three scenarios are considered: room temperature deposition, post-deposition implantation and high temperature substrate heating. The room temperature depositions exhibit the characteristic energy dependence observed experimentally and shows that tetrahedral amorphous carbon forms at energies well below the subplantation threshold. In agreement with the experiment, implantation results in graphitisation and stress reduction and the critical dose for maximal change are well predicted. Simulations of ex-situ and in-situ heating investigate kinetic effects and thermal stability respectively, with the latter revealing an unexpected epitaxial growth mode.