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A thorough critical analysis of the theoretical relationships between thebond-angle dispersion in a-Si and the width of the transverse optical (TO)Raman peak is presented. It is shown that the discrepancies between them aredrastically reduced when unified definitions for these magnitudes are used.This reduced dispersion in the predicted values of the bond-angle dispersiontogether with the broad agreement with its scarce direct determinations is thenused to analyze the strain energy in partially relaxed pure a-Si. It isconcluded that defect annihilation does not contribute appreciably to reducingthe a-Si energy during structural relaxation. In contrast, it can account forhalf of the crystallization energy, which can be as low as 7 kJ/mol indefect-free a-Si.

Quantification of the bond-angle dispersion by Raman spectroscopy and the strain energy of amorphous silicon