Abstract

The conventional electronic-impurity doping required for Si-based electronics faces serious challenges below the 14-nm Si technology node in very-large-scale integration, and for Si nanocrystals up to ~10 nm in size. Expanding on successful modulation acceptor doping of SiO${}_{2}$, the authors investigate additional acceptor candidates, elucidating the role of atomistic parameters in allowing or blocking such doping. Some acceptors work in bulk Si but not in SiO${}_{2}$, while others ignored for bulk Si become very attractive for SiO${}_{2}$, due to their particular orbital configurations. This work points the way to advanced field-effect transistors and solar cells.

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