Investigation on random charging/discharging of single oxide trap in SiO2: An ab -initio study

In this paper, an improved simulation methodology for ab-initio calculation on random charging/discharging of gate oxide trap is proposed and adopted for investigation on oxygen vacancy defect in SiO₂ gate dielectric. Issues of unexpected high thermal barriers and oversimplified energy-position relationship of defect in conventional simulation are addressed and solved by the new method. The new methodology provides an effective platform for the studies on charging/discharging of various defects in different gate dielectrics, thus is helpful for the understanding of RTN and NBTI reliability.