Effect of nitrogen incorporation on the electronic structure and thermal stability of HfO2 gate dielectric

The effect of nitrogen incorporation on the electronic structure and thermal stability of HfO2 gate dielectric was investigated by using photoemission study and first-principles calculation. Hafnium oxynitride (HfON) dielectric shows higher thermal stability in comparison to pure HfO2 on Si. Atomic N can passivate O vacancies in the dielectrics during nitridation process, but the N atoms incorporated into interstitial sites cause band gap reduction. Postnitridation annealing is required to activate interstitial N atoms to form stable N–Hf bonds, which will increase the band gap and band offset of as-nitrided dielectric film.