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Effect of oxygen on the optical properties of small silicon pyramidal clusters

✍ Scribed by Filonov, A.; Ossicini, Stefano; Bassani, F.; d’Avitaya, F.

Book ID
111691834
Publisher
The American Physical Society
Year
2002
Tongue
English
Weight
780 KB
Volume
65
Category
Article
ISSN
1098-0121

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✍ Cecilia Noguez; Jakyoung Song; Sergio E. Ulloa; David A. Drabold; Sang H. Yang 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 164 KB

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