Vibrational Stretching Modes of the Si-H and Si-D Bonds in Amorphous Silicon Nitride

Abstract

ABSTRACTThe vibrational density of states for the SiH(D) and SiH2(D2) groups in amorphous silicon nitride are calculated. The Si-H(D) bond-stretching modes of the SiH2(D2) groups are found to split, with the Si-D bond-stretching mode having larger splitting. The difference between the Si-D bond-stretching frequency of the SiD group and the Si-D asymmetrical stretching frequency of the SiD2 group has about the same value as that of the Si-H bonds. The differences in the effective masses of the Si-H and Si-D bonds and the degrees of the bond-stretching splitting of the SiH2 and SiD2 groups have compensating effects.