The surface relaxation of (001) Si and the deposition dynamics of Catom on Si (001) surface are studied by molecular dynamics method usingsemi-empirical many-body Tersoffpotential. The main results include that:the atoms in surface of (001) Si are rearranged and form bonding, there is aenergy threshold when the C atom deposit on the Si Surface; when incidentcarbon atom with higher energy the chemisorPtion with silicon substratecan occur easily; we also find that higher incident energy benefit to lowsubstYate temperature and realize the phase transformation of particle.These results have importan reference value for controlling experimenta1condition to synthesize high quality silicon-carbon at the low temperature.
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