First-principle theoretical study on reliability SiO₂thin films under external electric field

摘要

Dielectric breakdown of silicon dioxide (SiO₂) thinfilm has been a critical issue in the reliability of advanced electronicdevices. A mechanism of the dielectric breakdown has been traced as themigration of the interstitial hydrogen (H) atom. Incompletely oxidizedsilicon (Si) is another issue of SILC. We have carried outfirst-principle calculations for SiO₂ thin films withinterstitial H atoms and also investigated the migration of oxygen atomsin Si thin film. The methods were based on the regional densityfunctional theory which enables as to calculate the finite-temperatureelectronic structures under the external electric fields and electroniccurrents