Phonon mode study of Si nanocrystals using micro-Raman spectroscopy

First-order Raman spectra of hydrogenated nanocrystalline silicon (nc:Si:H) films show unexpected features in their optical vibrational modes for crystallites with sizes ranging from 2 to 6 nm. Two size-dependent spectral regions, one with the stronger intensity peaking at 505–509 cm−1 and another a shoulder-like band between 512 and 517 cm−1, are clearly identified using a detailed line-shape analysis and the strong phonon confinement model. The strong size dependence of the relative integrated intensities of the two bands suggests that the modification of the vibrational spectra can be attributed to an effect induced by the atomic vibrations from the near-surface region of the nanocrystals.