We present the first microscopic calculations of the energetics of impurity-defect reactions and provide a detailed picture of the diffusion mechanisms of dopant impurities in Si. We find that vacancies mediate impurity diffusion via impurity-vacancy pairs. Self-interstitials mediate diffusion by ejecting substitutional impurities into interstitial channels and/or via impurity-self-interstitial pairs. The predicted activation energies for P and Al agree well with measured values in both intrinsic and extrinsic Si.
|Original language||English (US)|
|Number of pages||4|
|Journal||Physical review letters|
|State||Published - Jan 1 1985|
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)