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- W2022245002 abstract "For a long time the rather low doping efficiency of B in $a$-Si:H has been explained by the argument that almost all of the B is incorporated into threefold coordinated sites and that B is inert or nondoping in this configuration. Using ab initio molecular dynamics, we have studied the energetics and electronic structure (doping) consequences of B incorporation into $a$-Si:H both with and without H passivation. Our results suggest that the conventional view is in error and that the low doping efficiency is primarily due to H passivation. These results are consistent with the low doping efficiency of B as well as NMR studies on the large electric-field gradients experienced by the B atoms and on NMR double-resonance studies of B-H neighboring distances." @default.
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- W2022245002 date "1997-07-15" @default.
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- W2022245002 title "Theory of boron doping in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mi>a</mml:mi></mml:math>-Si:H" @default.
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- W2022245002 doi "https://doi.org/10.1103/physrevb.56.1864" @default.
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