The previously suggested segregation model for As at Si/SiO2 interfaces based on a combined trapping/pairing model required high binding energies for interface vacancies, which results of about 0.2eV could not confirm. As an alternative explanation, ab initio results were presented which showed that As and H bonds with an energy gain of 1.5–3eV with their minimum-energy position at the interface, created additional trapping sites for As segregation. The inclusion of H into the modeling might thus be able to explain the differences between the previous model and experiments.

Ab initio Study of the Effect of Hydrogen and Point Defects on Arsenic Segregation at Si(100)/SiO2 Interfaces. K.Ravichandran, W.Windl: Applied Physics Letters, 2005, 86[15], 152106 (3pp)