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• W2074111837 abstract "Thin-film Si grows layer by layer on Si(001)-(2 × 1):H in plasma-enhanced chemical vapor deposition. Here we investigate the reason why this occurs by using quantum chemical molecular dynamics and density functional theory calculations. We propose a dangling bond (DB) diffusion model as an alternative to the SiH3 diffusion model, which is in conflict with first-principles calculation results and does not match the experimental evidence. In our model, DBs diffuse rapidly along an upper layer consisting of Si-H3 sites, and then migrate from the upper layer to a lower layer consisting of Si-H sites. The subsequently incident SiH3 radical is then adsorbed onto the DB in the lower layer, producing two-dimensional growth. We find that DB diffusion appears analogous to H diffusion and can explain the reason why the layer-by-layer growth occurs." @default.
• W2074111837 created "2016-06-24" @default.
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• W2074111837 date "2015-03-16" @default.
• W2074111837 modified "2023-09-23" @default.
• W2074111837 title "The reason why thin-film silicon grows layer by layer in plasma-enhanced chemical vapor deposition" @default.
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• W2074111837 doi "https://doi.org/10.1038/srep09052" @default.
• W2074111837 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4360731" @default.
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