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Comparative study of reconstructed silicon and diamond (111) surfaces modelled by small clusters

✍ Scribed by E. Gaigher; W.S. Verwoerd

Book ID
118983848
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
982 KB
Volume
103
Category
Article
ISSN
0039-6028

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πŸ“œ SIMILAR VOLUMES

CNDO/2 calculations of relaxation and re
CNDO/2 calculations of relaxation and reconstruction of diamond and silicon [111] surfaces
✍ I. ΔΉszlΓ³ πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 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