Electronic structure theory and mechanisms of the oxide trapped hole annealing process

First principles quantum mechanical calculations on model SiO₂ clusters support the Lelis model of reverse annealing in the oxide and provide the first electronic structure explanation of the process, suggesting that delocalized holes (E_δ´ centers) are annealed out permanently. Localized holes (E_γ ´ centers) form a metastable, dipolar complex, without restoring the Si-Si dimer bond upon electron trapping. In the presence of an applied negative field, these charge neutral, dipolar complexes, (E_γ´+e^-), can readily release the weakly bonded electron, exhibiting a reverse annealing process