THEORETICAL-STUDY OF A-SINXHY ALLOYS

Using an ab-initio method recently developed by us, we have performed a thorough study of the amorphous SiNxHy ternary alloy. Equilibrium atomic configurations, electronic structure, change distributions and vibrational modes are obtained from first principles and compared with the available experimental data. Partial substitution of N by O atoms is also analyzed, and the optical absorption of SiOxNy is computed.