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Size dependence of the optical properties of silicon clusters

✍ Scribed by Cecilia Noguez; Jakyoung Song; Sergio E. Ulloa; David A. Drabold; Sang H. Yang

Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 164 KB
Volume: 20
Category: Article
ISSN: 0749-6036
DOI: 10.1006/spmi.1996.0096

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✦ Synopsis

Ab initio calculations of the optical properties of silicon clusters of 20, 60, and 70 atoms are presented. Quantum molecular dynamics using a minimal sp 3 basis set are performed to find metastable and equilibrium atomic configurations. The optical properties of these clusters are calculated using an extended sp 3 d 5 basis. We discuss the dependence of the optical properties on the number of atoms as well as on the geometric configuration of these clusters.

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