The spatial ordering of SiC nanoclusters on the step edges of Si surfaces was studied by means of multi-scale computer simulation. The evolution of cluster arrays on an ideal flat surface and surfaces with terraces of various widths was performed using kinetic Monte Carlo simulations based upon quantitative studies of potential energy surfaces by molecular dynamics. Analysis of the potential energy surfaces revealed that certain types of steps acted as strong trapping centers for both Si and C adatoms; stimulating cluster nucleation. Spatial ordering of SiC nanoclusters at the terrace edges could be achieved if the growth parameters (substrate temperature, carbon flux) and substrate (step direction, terrace widths) were suitably adjusted.

Carbon Surface Diffusion and SiC Nanocluster Self-Ordering. J.Pezoldt, Y.V.Trushin, V.S.Kharlamov, A.A.Schmidt, V.Cimalla, O.Ambacher: Nuclear Instruments and Methods in Physics Research B, 2006, 253[1-2], 241-5