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Relaxation and reconstruction of Si and diamond (111) surfaces using X4H9 clusters

✍ Scribed by W.S. Verwoerd; F.J. Kok


Book ID
118983014
Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
784 KB
Volume
80
Category
Article
ISSN
0039-6028

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CNDO/2 calculations of relaxation and re
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## 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