| Numéro |
J. Phys. Colloques
Volume 42, Numéro C4, Octobre 1981
Proceedings of the Ninth International Conference on Amorphous and Liquid Semiconductors
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|---|---|---|
| Page(s) | C4-823 - C4-826 | |
| DOI | https://doi.org/10.1051/jphyscol:19814181 | |
Proceedings of the Ninth International Conference on Amorphous and Liquid Semiconductors
J. Phys. Colloques 42 (1981) C4-823-C4-826
DOI: 10.1051/jphyscol:19814181
Instituto de Investigaciones en Materiales, UNAM, Apartado Postal 70-360, México 20, D.F.
J. Phys. Colloques 42 (1981) C4-823-C4-826
DOI: 10.1051/jphyscol:19814181
APPLICATION OF THE MOLECULAR ORBITAL SELF-CONSISTENT-FIELD METHOD TO THE STUDY OF a-Si
L.E. Sansores, E.A. Cetina and J. Tagueña-MartínezInstituto de Investigaciones en Materiales, UNAM, Apartado Postal 70-360, México 20, D.F.
Abstract
The molecular self-consistent-field method (MOSCFM) together with the cluster model has been proved very successfully to obtain electronic properties of solids (1). The MOSCFM is essentially a tight binding LCAOCNDO type of approximation and the use of the cluster model simplifies enormously the computation in systems without symmetries. In this work the MOSCFM is applied to the study of amorphous silicon tetrahedrally coordinated clusters Si8H18, the role of the hydrogen being to saturate the bonds. The energy spectra, band gaps, bond indices and atomic orbital populations are calculated. The results are satisfactory and the method can be easily extended to study the hydrogenated amorphous silicon.