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Effect of charge on bond strength in hydrogenated amorphous silicon
Author(s) -
Clare B. W.,
Talukder G.,
Jennings P. J.,
Cornish J. C. L.,
Hefter G. T.
Publication year - 1994
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540150608
Subject(s) - silanes , amorphous silicon , silicon , materials science , trapping , charge (physics) , amorphous solid , bond strength , infrared , lattice (music) , chemical physics , photochemistry , chemistry , silane , optoelectronics , crystallography , nanotechnology , composite material , optics , crystalline silicon , physics , ecology , adhesive , layer (electronics) , quantum mechanics , acoustics , biology
We have studied the effect of excess charge on the bond strength in the silanes SiH 4 and Si 2 H 6 to assess whether charge trapping in a solid‐state lattice might promote the technologically important photodegradation of amorphous silicon alloys (the Staebler‐Wronski effect). The calculations indicate that both positive and negative charges reduce the strength of SiH and SiSi bonds considerably, to the point where they may be broken easily by visible or even infrared light. © 1994 by John Wiley & Sons, Inc.