Abstract
We report in this paper a procedure to simulate the deposit of carbon diamondlike films over the Si(001) surface. We use the method of tight-binding molecular dynamics and well-known transferable C-C and Si-Si interactions. We propose for the Si-C interaction a weighted average of the single element interactions and test it by studying crystalline SiC, the molecule SiC, some small mixed clusters and the surfaces of $\ensuremath{\beta}$ SiC(001). Results of the deposition simulation for low carbon concentrations are presented, showing the formation of a thin mixed interface layer, and its structural and some electronic properties are described.
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