Ab-initio calculation of the vibrational influence on hole-trapping

Within the theory of non-radiative multi phonon (NMP) transitions the reaction rate for an electronic transition is proportional to the product of the corresponding electronic matrix element and the line-shape function. The theory is discussed for the case of oxide traps in MOS structures. A simple method for the calculation of reaction rates for atomistic models is derived from approximations to the NMP theory. This method is applied to two selected model defects in the context of negative bias temperature instability (NBTI).