SIZE DEPENDENCE OF THE OPTICAL-PROPERTIES OF SILICON CLUSTERS

Authors
NOGUEZ C SONG JY ULLOA SE DRABOLD DA YANG SH
Citation
C. Noguez et al., SIZE DEPENDENCE OF THE OPTICAL-PROPERTIES OF SILICON CLUSTERS, Superlattices and microstructures, 20(3), 1996, pp. 405-410
Citations number
18
Categorie Soggetti
Physics, Condensed Matter
Journal title
Superlattices and microstructures → ACNP
ISSN journal
07496036
Volume
20
Issue
3
Year of publication
1996
Pages
405 - 410
Database
ISI
SICI code
0749-6036(1996)20:3<405:SDOTOO>2.0.ZU;2-3
Abstract
Ab initio calculations of the optical properties of silicon clusters o f 20, 60, and 70 atoms are presented. Quantum molecular dynamics using a minimal sp(3) basis set are performed to find metastable and equili brium atomic configurations. The optical properties of these clusters are calculated using an extended sp(3)d(5) basis. We discuss the depen dence of the optical properties on the number of atoms as well as on t he geometric configuration of these clusters. (C) 1996 Academic Press Limited