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

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

2002-11-25

arxiv.org/abs/cond-mat/0211540v1

Physics

Condensed Matter

Disordered Systems and Neural Networks

4 pages, 4 figures

Scientific paper

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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