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- W2111157601 abstract "Using ab initio density-functional calculations, we examine possible exchange mechanisms between an interstitial hydrogen atom and a deeply bound H at a silicon-hydrogen bond. We determine a low-energy pathway for exchange, which involves an intermediate, metastable $ensuremath{equiv}{mathrm{SiH}}_{2}$ complex with both hydrogen atoms strongly bound to the silicon atom. The energy barrier for the exchange process is ${E}_{mathrm{ex}}<0.2 mathrm{eV},$ consistent with observations of hydrogen-deuterium exchange in $aensuremath{-}mathrm{S}mathrm{i}:mathrm{H}(mathrm{D})$ films." @default.
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- W2111157601 date "1999-02-15" @default.
- W2111157601 modified "2023-09-27" @default.
- W2111157601 title "Exchange of deeply trapped and interstitial hydrogen in silicon" @default.
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- W2111157601 doi "https://doi.org/10.1103/physrevb.59.5493" @default.
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