Hydrogen electrochemistry and stress-induced leakage current in silica

Hydrogen-related defects in oxygen-deficient silica, representing the material of a thermal gate oxide, are analyzed using first-principles calculations. Energetics and charge-state levels of oxygen vacancies, hydrogen, and their complexes in the silica framework art mapped out. The neutral hydrogen bridge, called E-4' in quartz, is identified as the trap responsible for stress-induced leakage current, a forerunner df dielectric breakdown id metal-oxide-semiconductor devices.