The Si(001)/SiO2 (tridymite) interface was simulated by using a Monte Carlo method. It was shown that reasonable values of the angles and interatomic distances could be obtained in this way. The O defect formation energy dependence was studied for various vacancy sites. It was found that, because of coulombic interactions, the formation of vacancies was much easier in the vicinity of the interface.

S.Carniato, G.Boureau, J.Harding: Radiation Effects and Defects in Solids, 1995, 134, 179-83