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The first total-energy calculations of barriers to interstitial migration have been used to study silicon self-interstitial migration. Migration occurs through the low-electron-density path. Relaxation was found to be important in determining the barrier for both Si^ (0) and Si^ (++). Electron-assisted migration has been demonstrated. Si^ (++) was found to have lower energy at the tetrahedral site while Si^ (0) has lower energy at the hexagonal site.
Bar-Yam et al. (Mon,) studied this question.
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