Potential energy landscape of Li+ ions in lithium silicate glasses: Implications on ionic transport

The potential energy landscapes of Li+ ions in Li2O–SiO2 glasses containing 3.3–15mol% Li2O have been studied using molecular dynamics simulation. It is shown for the first time that the densities of states for Li+ ions follow a nearly universal logarithmic distribution irrespective of the Li concen...

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Bibliographic Details
Published inJournal of non-crystalline solids Vol. 351; no. 40-42; pp. 3361 - 3364
Main Authors Sen, Sabyasachi, Mukerji, Tapan
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier B.V 15.10.2005
Elsevier
Subjects
Condensed matter: structure, mechanical and thermal properties
Diffusion in solids
Exact sciences and technology
Physics
Self-diffusion and ionic conduction in nonmetals
Transport properties of condensed matter (nonelectronic)
F105
M250
66.10.Ed
T330
66.30.Hs
61.43.Bn
61.43.Fs
M290
Potential energy
Electrical conductivity
Ionic conductivity
Molecular dynamics method
Glass
Chemical composition
Activation energy
Lithium silicates
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Summary:The potential energy landscapes of Li+ ions in Li2O–SiO2 glasses containing 3.3–15mol% Li2O have been studied using molecular dynamics simulation. It is shown for the first time that the densities of states for Li+ ions follow a nearly universal logarithmic distribution irrespective of the Li concentration. Such a functional form of the ionic density of states is shown to provide an explanation for the experimentally observed logarithmic dependence of the activation energy of dc conductivity on the modifier ion concentration in a wide variety of glasses.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:0022-3093
1873-4812
DOI:10.1016/j.jnoncrysol.2005.08.025