Defect clusters in titanium-substituted spinel-related lithium ferrite

H. M. Widatallah, E. A. Moore

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)1663-1667
Number of pages5
JournalJournal of Physics and Chemistry of Solids
Volume65
Issue number10
DOIs
Publication statusPublished - Oct 2004

Fingerprint

Titanium
Lithium
spinel
Ferrite
Cations
ferrites
titanium
lithium
Positive ions
Ions
cations
Defects
defects
ions
Oxygen
oxygen
spinell

Keywords

  • A. Ceramics
  • A. Magnetic materials
  • C. Ab initio calculations
  • D. Defects

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Defect clusters in titanium-substituted spinel-related lithium ferrite. / Widatallah, H. M.; Moore, E. A.

In: Journal of Physics and Chemistry of Solids, Vol. 65, No. 10, 10.2004, p. 1663-1667.

Research output: Contribution to journalArticle

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