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• W2044362115 abstract "The results of ab initio LDF calculations applied to large clusters of Si atoms containing H in various positions are described. We find the bond centred (BC) defect to be most stable for neutral and positively charged H. H placed at an antibonding site is also stable with an energy 0.1 eV higher than the BC defect. The stability of H2 and H∗2 is also discussed. New results are reported for the conversion of BC defects into Si dangling bonds. It is found that H attached to vacancy-like defects is bi-stable: for Si-H-Si lengths less than ≈3.8 Å, the BC defect is stable, whereas for longer separations, the Si-H ··· Si dangling bond is stable. A discussion of the relevance of this to the Staebler-Wronski effect is given." @default.
• W2044362115 created "2016-06-24" @default.
• W2044362115 creator A5013694549 @default.
• W2044362115 date "1991-04-01" @default.
• W2044362115 modified "2023-09-30" @default.
• W2044362115 title "Metastable states in Si:H" @default.
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• W2044362115 doi "https://doi.org/10.1016/0921-4526(91)90121-t" @default.
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