Widatallah, H.M. and Moore, E.A.
|DOI (Digital Object Identifier) Link:||http://dx.doi.org/10.1016/j.jpcs.2004.04.002|
|Google Scholar:||Look up in Google Scholar|
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.|
|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)
|Depositing User:||Users 1688 not found.|
|Date Deposited:||12 Jun 2006|
|Last Modified:||07 Mar 2014 13:41|
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