MINDO/3 calculation of the electronic structure of silicon nitride |
| |
| Authors: | V A Gritsenko Yu N Novikov Yu N Morokov |
| |
| Institution: | (1) Institute of Semiconductor Physics, Siberian Branch of the Russian Academy of Sciences, 630090 Novosibirsk, Russia;(2) Institute of Computer Technologies, Siberian Branch of the Russian Academy of Sciences, 630090 Novosibirsk, Russia |
| |
| 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.
Fiz. Tverd. Tela (St. Petersburg) 39, 1342–1347 (August 1997) |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
