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Influence of the Random Arrangement of Molecules on Energy of Vacancies Migration

M. A. Korshunov
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Abstract

Calculation of energy of migration for number of molecular crystals consisting of centrosymmetrical and non-centrosymmetrical molecules was carried out by using a method of atom-atom potentials. It is shown, that the potential barrier is symmetrical for crystals consisting of centrosymmetrical molecules, but not symmetrical for the mixed crystals and crystals consisting of non-centrosymmetrical molecules. Thus it is possible to influence quantity of migration energy, growing the mixed crystals with a particular arrangement of components.

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M. A. Korshunov. 2002-11-25. Influence of the Random Arrangement of Molecules on Energy of Vacancies Migration. https://arxiv.org/abs/cond-mat/0211540

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