Tight-binding molecular-dynamics study of amorphous carbon deposits over silicon surfaces

We report in this paper a procedure to simulate the deposit of carbon diamo ndlike films over the Si(001) surface. We use the method of tight-binding m olecular dynamics and well-known transferable C-C and Si-Si interactions. W e propose for the Si-C interaction a weighted average of the single element interactions and test it by studying crystalline SiC, the molecule SiC, so me small mixed clusters and the surfaces of beta SiC(001). Results of the d eposition simulation for low carbon concentrations are presented, showing t he formation of a thin mixed interface layer, and its structural and some e lectronic properties are described. [S0163-1829(99)08627-0].