Using density functional theory calculations within the generalized gradient approximation, we have investigated the structure, energetics, bonding, and diffusion behavior of Si interstitials and boron-interstitial pairs at the Si/SiO2 interface. We find that interstitials are significantly stabilized at the Si/SiO2 interface and prefer to reside on the SiO2 side rather than the Si side. Due to the interstitial stabilization, boron-interstitial pairs are likely to be easily dissociated in the vicinity of the Si/SiO2 interface. This study provides valuable insight into interstitial annihilation and boron precipitation at the interface.
|Number of pages||6|
|Journal||Materials Research Society Symposium - Proceedings|
|State||Published - 2004|
|Event||Silicon Front-End Junction Formation - Physics and Technology - San Francisco, CA, United States|
Duration: 13 Apr 2004 → 15 Apr 2004