| Issue |
Europhys. Lett.
Volume 35, Number 1, July I 1996
|
|
|---|---|---|
| Page(s) | 13 - 18 | |
| Section | Atomic, molecular and optical physics | |
| DOI | https://doi.org/10.1209/epl/i1996-00523-2 | |
| Published online | 01 September 2002 | |
Properties of Si-H-O clusters and luminescence
CNR, Istituto LAMEL - Via Gobetti 101, 40129 Bologna, Italy
Received:
11
January
1996
Accepted:
9
May
1996
In this work the structure and the electronic configuration of polymorphous compound
clusters of size 
formed by
Si, O, H are studied by using semi-empirical methods
of the type LCAO. A decrease of the HOMO-LUMO gap with the increase of the cluster size is
generally observed. The effect, however, depends in a complex manner
on the geometry and on the composition of the cluster.
PACS: 31.15.Ct – Semi-empirical and empirical calculations (differential overlap, Hückel, PPP methods, etc.) / 36.20.Hb – Configuration (bonds, dimensions)
© EDP Sciences, 1996
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