Quantitative methods in crystalline media: application of the effective supersystem method to diamond and silicon single crystals

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, , Citation M Fournier et al 1979 J. Phys. C: Solid State Phys. 12 4423 DOI 10.1088/0022-3719/12/21/010

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1 Lab. de Phys. Statistique et de Rheologie, Univ. de Perpignan, Perpignan, France

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0022-3719/12/21/4423

Abstract

A semiempirical method of crystalline simulation, the effective supersystem method (ESS), is applied for the first time to the covalent crystals, e.g. diamond and silicon. The geometrical parameters and the bulk moduli are found with reasonable accuracy and the experimentally determined positions of the impurity levels in the band gap agree well with theory.

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