First–Principles Parameter–Free Modeling of n– and p–FET Hot–Carrier Degradation

We use an ab initio quantum chemistry approach to reveal and describe the intricate physics underlying hot-carrier degradation (HCD). We identify a resonance scattering mechanism to be responsible for the interaction of energetic carriers with the Si-H bond at the Si/SiO
₂
interface. Within this formulation carriers tunnel into an available resonance state and produce multiple vibrational excitations of the bond upon inelastic relaxation. Since in our approach all model parameters are rigorously obtained from ab initio calculations, it is essentially free of fitting parameters or assumptions. Our ab initio based framework describes HCD in both n- and p-FETs and also clearly reveals the differences in the HCD mechanisms between them. We finally validate the model against measurement data for n- and p-channel transistors.