Development and application of new kinetic theory for thermal oxidation of silicon replacing the Deal-Grove model

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A new general rate equation for thermal oxidation of silicon was formulated. The rate equation is applicable to oxidation processes in dry and wet oxygen ambient, and explains a long-pending problem of a nonlinear oxygen pressure dependency observed in the dry oxidation. Atomistic structures of silicon oxide and germanium oxide films were modeled by means of molecular dynamics, through which the structural relaxation mechanism, diffusion behavior of oxidant molecules, stress distribution, heat transport and phonon mode decay processes are investigated.