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Reconstruction and energetics for surfaces of silicon, diamond and β-SiC

✍ Scribed by T. Takai; T. Halicioǧlu; W.A. Tiller


Publisher
Elsevier Science
Year
1985
Weight
43 KB
Volume
164
Category
Article
ISSN
0167-2584

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CNDO/2 calculations of relaxation and re
✍ I. Ĺszló 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 376 KB

## Abstract CNDO/2 calculations have been performed on the clusters __X__~4~H~9~ and __X__~4~__Y__~9~ modeling the [111] diamond and silicon surfaces. The __X__ is either carbon or silicon atom and the __Y__ is a pseudoatom containing one __sp__^3^ hybrid orbital. It is shown that in the CNDO/2 app