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Quantum chemical calculations of silicon clusters in silicon dioxide and point defects in β-cristobalite

✍ Scribed by G. V. Gadiyak; I. V. Korolenko; Yu. N. Morokov

Publisher: John Wiley and Sons
Year: 1990
Tongue: English
Weight: 275 KB
Volume: 38
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560380220

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✦ Synopsis

Abstract

A local electronic‐state density in β‐cristobalite in the empirical tight‐binding approximation has been calculated by the recursion method. In particular, silicon clusters have been considered in β‐cristobalite containing up to three coordination spheres of silicon atoms.

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