We report an atomistic simulation study of laser-induced graphitization on the diamond (111) surface. Our simulation results show that the diamond to graphite transition occurs along different pathways depending on the length of the laser pulse being used. Under nanosecond or longer laser pulses, graphitization propagates vertically into bulk layers, leading to the formation of diamond-graphite interfaces after the laser treatment. By contrast, with femtosecond (0.2–0.5 ps) laser pulses, graphitization of the surface occurs layer by layer, resulting in a clean diamond surface after the ablation. This atomistic picture provides an explanation of recent experimental observations.

• Received 5 April 1999

DOI:https://doi.org/10.1103/PhysRevLett.85.4092