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Defect clusters in titanium-substituted spinel-related lithium ferrite

Widatallah, H.M. and Moore, E.A. (2004). Defect clusters in titanium-substituted spinel-related lithium ferrite. Journal of Physics and Chemistry of Solids, 65(10) pp. 1663–1667.

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The cation distribution in spinel-related titanium-substituted lithium ferrite, Li0.5+0.5xFe2.5−1.5xTixO4 has been explored using interatomic potential and ab initio calculations. The results suggest that the cation distribution with Ti4+ substituting for Fe3+ on octahedral B sites and excess Li+ substituting for Fe3+ on tetrahedral A sites is stabilised by the formation of clusters of two octahedrally coordinated Ti4+ ions and one tetrahedrally coordinated Li+ ion linked through a common oxygen.

Item Type: Journal Article
Copyright Holders: 2004 Elsevier Ltd.
ISSN: 0022-3697
Keywords: ceramics; magnetic materials; Ab initio calculations; defects
Academic Unit/Department: Science > Life, Health and Chemical Sciences
Interdisciplinary Research Centre: Centre for Earth, Planetary, Space and Astronomical Research (CEPSAR)
Biomedical Research Network (BRN)
Item ID: 2315
Depositing User: Users 1688 not found.
Date Deposited: 12 Jun 2006
Last Modified: 14 Jan 2016 15:47
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