Vibrational and electronic properties of hydrogenated amorphous silicon with dangling bonds

The vibrational density of states of several models of hydrogenated amorphous silicon with one or two dangling bonds have been calculated using a modified Keating potential. The corresponding charge densities near the dangling bonds have also been calculated using the self-consistent pseudopotential method. The effect of mutual interaction between dangling bonds on the vibrational density of states and charge densities is also investigated. © 1985.