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

First principles quantum mechanical calculations on model SiO/sub 2/ 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/sub /spl delta//' centers) are annealed out permanently. Localized holes (E/sub /spl gamma//' 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/sub /spl gamma//'+e/sup -/), can readily release the weakly bonded electron, exhibiting a reverse annealing process.