Abstract
Self-interstitials in Si are known to migrate athermally at very low temperatures (−4 K). In contrast, at hightemperatures (1100–1600 K), self-diffusion has an activation energy of −5 eV. We describe results of self-consistent Green's-function total energy calculations which, for the first time, provide detailed microscopic understanding of the mechanisms underlying these phenomena and reconcile the contrasting low- and high-temperature data.
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