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We propose a model which describes the frequency shift (Delta wSM) of the stretching mode (SM) of Si-H monohydrides (MH's) when incorporated in hydrogenated amorphous silicon (a-Si:H) with respect to the unscreened MH SM at .apprx.2099+-2 cm-1. The model is based on an effective medium approxn. of the dielec. using multiple Lorentz-Lorenz dielecs., corresponding to a host dielec. with MH's embedded in cavities, sep. The Delta wSM as derived in this model correctly predicts all bulk MH-SM positions in a-Si:H films and relates it directly to the nanostructure of the MH bulk configurations. [on SciFinder (R)]

physical review b

Relation of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Si</mml:mi><mml:mo></mml:mo><mml:mi mathvariant="normal">H</mml:mi></mml:mrow></mml:math>stretching frequency to the nanostructural<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Si</mml:mi><mml:mo></mml:mo><mml:mi mathvariant="normal">H</mml:mi></mml:mrow></mml:math>bulk environment

Relation of theSiHstretching frequency to the nanostructuralSiHbulk environment