Atomic-scale theory on current-assisted thermochemical degradation mode and its field acceleration via charge trapping of O vacancy in HfSiO@@d4@

An atomic-scale model for current-assisted field-accelerated thermochemical degradation via charge capturing by O vacancy (@@iV@@@dO@) is proposed based on first-principles calculations. We found that the electron current enhances the @@iV@@@dO@ formation around the @@iV@@@dO@ itself and the hole current makes the @@iV@@@dO@ transform into the puckered structure. The calculated activation enthalpy for breakdown and the effective dipole moment agree well with the experimental values. We also found that the @@isubordinate carriers in the generated subordinate carrier injection@ (@@iGSCI@) @@imodel@ play critical roles through a disproportion reaction of positively charged @@iV@@@dO@s.