TITLE

MINDO/3 calculation of the electronic structure of silicon nitride

AUTHOR(S)
Gritsenko, V. A.; Novikov, Yu. N.; Morokov, Yu. N.
PUB. DATE
August 1997
SOURCE
Physics of the Solid State;Aug97, Vol. 39 Issue 8, p1191
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
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 SiL[sub 2,3] spectrum but not reproduced in the calculations is discussed.
ACCESSION #
7322659

 

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