Local structure and bonding states in <i>a</i>-Si1−<i>x</i>C<i>x</i>:H

Abstract

Infrared spectra of a-Si1−xCx:H deposited in a glow discharge of a silane/methane mixture have been measured. Comparison with elastic recoil detection and Rutherford backscattering spectrometry shows that the mean number of hydrogen atoms attached to silicon per silicon atom ([HSi]/[Si]) increases with higher carbon content and that more Si—H2 bonding configurations are formed. Hydrogen is preferentially bonded in (Si—H2)n clusters, which partly explains the observed apparent shift of the Si—H stretching mode to higher energy. The remaining contribution to this shift is believed to result from Si—H on surfaces of voids instead of an inductive effect. From composition measurements we observe that for each carbon atom, three hydrogen atoms are incorporated in the material, suggesting that during deposition carbon is initially incorporated in CH3 groups. However, the mean number of C—H bonds per carbon atom decreases from about 2.2±0.4 to 1.4±0.3 with increasing carbon content, indicating that the majority of the carbon atoms is two- or threefold coordinated to silicon.