Abstract
The electronic structure of silicon nitride has been calculated by the semiempirical quantumchemical method MINDO/3 in the cluster approximation. The effect of cluster size and of boundary conditions on the partial density of one-electron states is analyzed. The results of the calculation are compared with experimental data on amorphous silicon nitride. The origin of a peak in the upper part of the valence band, which is seen in the SiL2,3 spectrum but not reproduced in the calculations is discussed.
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