Thermally activated electron capture by mobile protons in SiO2 thin films

Abstract

The annihilation of mobile protons in thin SiO2 films by capture of ultraviolet-excited electrons has been analyzed for temperatures between 77 and 500 K. We observe a strong increase in proton annihilation with increasing temperature, and derive an activation energy for electron capture of about 0.2 eV. Based on quantum chemical [(OH)3Si]2–O–H+ cluster calculations, we suggest photoexcitation of electrons from excited vibrational states of the ground electronic (valence band) state to a nearby excited electronic (SiO2 gap) state. It is argued that the latter excitation can result in H0 formation at elevated temperatures.