Si29nuclear magnetic resonance of amorphous hydrogenated silicon and amorphous microcrystalline mixed-phase hydrogenated silicon

Abstract
Si29 nuclear magnetic resonance (NMR) spectra have been measured for amorphous hydrogenated silicon (a-Si:H) and amorphous microcrystalline mixed-phase hydrogenated silicon (μc-Si:H) using high-resolution solid-state NMR techniques; magic-angle sample spinning, dipolar decoupling, and cross polarization (CP). H1 NMR spectra have been also measured. The peak position of the Si29 signal observed with the CP technique correlates well with the line shape of H1 NMR spectra, which has been ascribed to a chemical shift due to bonding configurations not only in the first coordination sphere but also in the second- and further-nearest coordination spheres. Origins of the Si29 linewidth have also been discussed, the magnitude of each contribution being estimated. A narrow Si29 signal can be obtained without the CP technique only in μc-Si:H, which demonstrates that there are regions where the silicon network is mobile. Based on the NMR results, microscopic models of the structures of a-Si:H and μc-Si:H are presented.