The energetics of the interactions between molecular hydrogen and common defects in SiO2 that are typically associated with O deficiency have been obtained using atomic-scale quantum mechanical calculations. H2 does not easily crack at neutral vacancies, but it will crack efficiently at O vacancy sites that have captured a hole and relaxed into the puckered configuration of an Eγ′ defect, releasing a proton into the oxide. Isolated Si dangling bonds also can play a role in cracking H 2, depending on their concentration in the oxides. These results provide significant insight into the underlying causes of latent interface trap buildup in MOS devices and enhanced low-dose-rate sensitivity in linear bipolar devices.
All Science Journal Classification (ASJC) codes
- Nuclear and High Energy Physics
- Nuclear Energy and Engineering
- Electrical and Electronic Engineering