Physical model and results of numerical simulation of the degradation of a Si/SiO₂ structure as a result of annealing in vacuum

A theoretical model is developed for the evolution of Pb-centers at a Si/SiO2 boundary during annealing in vacuum. The model takes into account diffusion of atomic and molecular hydrogen and the reactions between the hydrogen and these centers at the boundary. The reaction constants are calculated in the diffusion approximation. The results of these calculations are found to agree with experiment in the temperature range 480° - 800 °C and oxide thickness range 200-1024 Å for the (111) and (100) facets of silicon. © 1998 American Institute of Physics.