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Structural model for a covalently bonded Si45 cluster

✍ Scribed by Efthimios Kaxiras

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
418 KB
Volume
163
Category
Article
ISSN
0009-2614

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✦ Synopsis

A structural model is proposed for a Si cluster of 45 atoms, a size observed experimentally to be chemically non-reacti,e. The model closely resembles surface reconstructions of bulk Si and consists of a core of fourfold coordinated atoms surrounded by xbonded chains. The stability of the cluster against addition or removal of atoms was examined through calculations based on interatomic classical potentials. The atomic coordination suggests that bonding in the proposed model is essentially covalent.

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