ملخص
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.
اللغة الأصلية | English |
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الصفحات (من إلى) | 1663-1667 |
عدد الصفحات | 5 |
دورية | Journal of Physics and Chemistry of Solids |
مستوى الصوت | 65 |
رقم الإصدار | 10 |
المعرِّفات الرقمية للأشياء | |
حالة النشر | Published - أكتوبر 2004 |
منشور خارجيًا | نعم |
ASJC Scopus subject areas
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