Atomistic origin of high-quality novel SiON gate dielectrics
We have investigated the effect of the oxygen incorporation into SiN films by the first principles calculations. The calculated results show that the oxygen incorporation tends to generate defect states in SiN band gap by forming dangling bonds and floating bonds of Si. Based on the calculated results, it is also indicated that the high quality SiON film can be fabricated by suppressing the incorporation of O atoms into the SiN film, reproducing the reported experiments.
gate dielectrics first principles calculations theory electronic structures