A MODEL FOR THE NUCLEATION OF DIAMOND CLUSTERS ON SI(111) SUBSTRATES

A theoretical study of the nucleation, size, and structure of diamond phase carbon clusters on Si(111) substrates is presented. Molecular me chanics analysis has been utilized to predict energetically and entrop ically feasible pathways for nucleation of the carbon clusters. Severa l mechanistic pathways for nucleation of carbon clusters are examined with CH3 and/or C2H2 as the nucleation precursors. A possible model fo r the nucleation mechanism of diamond-phase carbon clusters on the bet a-SiC(111) surface, which forms epitaxially on Si(111) substlates, is presented. The critical size of the carbon clusters is computed based on the atomistic theory of nucleation and the proposed nucleation mech anisms. (C) 1997 American Institute of Physics.