First-Principles Investigation on Oxide Trapping

Abstract

We conduct a thorough investigation of the tunneling dynamics of oxide traps in a-SiO₂, in particular of the E ^′_δ center, the E ^′_γ center, their hydrogenated counterparts, and the H atom. Based on these findings their behavior in the context of tunneling can be deduced. It is found that an E ^′_γ center can exchange electrons with the Si bulk. The E ^′_δ center shows two distinct behaviors induced by a spread in its tunneling levels. The H atom is not affected by the presence of an interface, whereas a H bridge may occur in every charge state.