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.

DOI (Digital Object Identifier) Link:	http://dx.doi.org/doi:10.1016/j.jpcs.2004.04.002
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Abstract

The cation distribution in spinel-related titanium-substituted lithium ferrite, Li_0.5+0.5xFe_2.5−1.5xTi_xO₄ 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
Item ID:	2315
Depositing User:	Users 1688 not found.
Date Deposited:	12 Jun 2006
Last Modified:	02 Aug 2011 15:54
URI:	http://oro.open.ac.uk/id/eprint/2315

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