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Dynamics of lithium ions in lithium oxide

 

作者: J.L. Gavartin,   C.R. A. Catlow,   A.L. Shluger,   P.W. M. Jacobs,   Z.A. Rycerz,  

 

期刊: Radiation Effects and Defects in Solids  (Taylor Available online 1995)
卷期: Volume 134, issue 1-4  

页码: 107-110

 

ISSN:1042-0150

 

年代: 1995

 

DOI:10.1080/10420159508227193

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

It is known that high ionic conductivity in fluorite-structured materials is associated with thermally created Frenkel-type disorder at temperatures well-below the melting point. Using crystallineLi2Oas a model system, we studied the mechanism of formation of Frenkel pairs at temperatures close to the transition to the fast-ionic phase, and ionic motion at temperatures above the transition point. The dynamical behaviour of lithium oxide has been studied using both lattice dynamics within the quasi-harmonic (QH) approximation and molecular dynamics (MD).

 

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