The ab initio method with the STO-3G basis set is used to calculate the infrared and Raman spectra of hydrogenated amorphous silicon. To remove the systematic deviation of the calculated frequencies due to the finite number of the basis functions and the small size of the cluster, a scaling method is used. The results are in good agreement with the experiments. The calculated results support that there are SiH, SiH,, SiH,, and (SiH,), configurations in hydrogenated amorphous silicon. The doublet lines are associated with the SiH, configuration.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.