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- W2021593145 abstract "Low-temperature crystal growth techniques can deposit silicon films with impurity concentration orders of magnitude above their bulk solubility limits. First-principles calculations were performed of the energies (relative to the bulk) of single substitutional carbon, germanium, boron, and arsenic atoms at several positions within a thin (100) slab of silicon reconstructed as c(4×2). The energies of these impurities were found to be at least 0.2eV lower than in the bulk, corresponding to surface enrichments of 1000 or greater at a temperature of 500°C. General trends can be explained using the concepts of hybridization energy and lone pairs. The large surface reconstruction strain gives rise to this complex potential energy surface, and favors long-ranged order among impurities near the surface. As a result, we expect a complex dependence of trapped impurity concentrations on growth rate and temperature, with a high sensitivity to these parameters when the exchange rate of the impurity with neigboring sites is comparable to the monolayer deposition rate." @default.
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- W2021593145 date "2005-11-28" @default.
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- W2021593145 title "First-principles calculation of free Si(100) surface impurity enrichment" @default.
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- W2021593145 doi "https://doi.org/10.1063/1.2138811" @default.
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