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Hopping conductivity in a system with ZnS crystal lattice by non-constant force field molecular dynamics

Anton A. Raskovalov


In the paper non-constant force field molecular dynamics was used to study conductivity behavior on ZnS crystal lattice. The considered conductivity provided by electron hopping between localization centers placed randomly according to ZnS geometry. It was shown that the conductivity behavior depends on the maximal hopping distance. For the small distances the conductivity passes through the maximum around equimolar concentrations of electron donors and acceptors. Increasing in the maximal hopping distance leads to increasing in conductivity values and change shape of its concentration dependence.


molecular dynamics; non-constant force field; polaron hopping; ZnS lattice

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Copyright (c) 2018 Anton Alexandrovich Raskovalov

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Chimica Techno Acta, 2014-2022
ISSN 2411-1414 (Online)