Diffusons, locons and propagons: Character of atomic vibrations in amorphous Si

Abstract

Abstract Numerical studies of amorphous Si show that the lowest 4% of vibrational modes are piane wave like (‘propagons’) and the highest 3% of modes are localized (‘locons’). The rest are neither piane wave like nor localized. We cali them ‘diffusons’. Since diffusons are by far the most numerous, we try to characterize them by calculating such properties as the wave-vector and polarization (which do not seem to be useful), ‘phase auotient’ (a measure of the change of vibrational phase between first-neighbour atoms), spadal polarization memory and diffusivity. Localized states are characterized by finding decay lengths, inverse participation ratios and coordination numbers of the participating atoms.