Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/64662
Title: Hopping conductivity in a system with ZnS crystal lattice by non-constant force field molecular dynamics
Authors: Raskovalov, A. A.
Issue Date: 2018
Publisher: Уральский федеральный университет
Citation: Raskovalov A. A. Hopping conductivity in a system with ZnS crystal lattice by non-constant force field molecular dynamics / A. A. Raskovalov // Chimica Techno Acta. — 2018. — Vol. 5, No. 3. — P. 153-157.
Abstract: 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.
Keywords: MOLECULAR DYNAMICS
NON-CONSTANT FORCE FIELD
POLARON HOPPING
ZNS LATTICE
URI: http://hdl.handle.net/10995/64662
RSCI ID: https://elibrary.ru/item.asp?id=36379500
ISSN: 2409-5613 (Print)
2411-1414 (Online)
DOI: 10.15826/chimtech.2018.5.3.05
metadata.dc.description.sponsorship: The reported study was funded by Russian Foundation for Basic Research (RFBR), according to the research project No. 16‑33‑60095 mol_a_dk.
Origin: Chimica Techno Acta. 2018. Vol. 5. № 3
Appears in Collections:Chimica Techno Acta

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