MODELING OF THE IMPURITY VACANCY INTERACTION IN MAGNESIUM DOPED LITHIUM-OXIDE

Authors
GAVARTIN JL SHLUGER AL CATLOW CRA
Citation
Jl. Gavartin et al., MODELING OF THE IMPURITY VACANCY INTERACTION IN MAGNESIUM DOPED LITHIUM-OXIDE, Journal of physics. Condensed matter, 5(40), 1993, pp. 7397-7408
Citations number
45
Categorie Soggetti
Physics, Condensed Matter
Journal title
Journal of physics. Condensed matter → ACNP
ISSN journal
09538984
Volume
5
Issue
40
Year of publication
1993
Pages
7397 - 7408
Database
ISI
SICI code
0953-8984(1993)5:40<7397:MOTIVI>2.0.ZU;2-J
Abstract
The influence of the Mg2+ impurity on cation migration in Li2O crystal s is considered. A static atomistic simulation technique is used to st udy the most stable forms of impurity-vacancy association. The adiabat ic barriers for the vacancy motion in the presence of Mg2+ impurity io ns in Li2O are calculated and discussed. The formation of impurity-vac ancy (Mg2+-V(c))n clusters and their possible further association is i nvestigated.