Iron(III) as a defect in diantimony tetroxide

E. A. Moore*, H. M. Widatallah

*المؤلف المقابل لهذا العمل

نتاج البحث: المساهمة في مجلةArticleمراجعة النظراء

4 اقتباسات (Scopus)

ملخص

Defect structures for Fe(III) in both alpha- and beta-diantimony tetroxide are explored using computer modelling techniques. A new favourable interstitial position for Fe(III) is identified, but the most energetically favourable defect reaction incorporating Fe(III) in diantimony tetroxide was found to be that in which the transition metal ion replaced an Sb(III) ion. The most favourable intrinsic defect in diantimony tetroxide is found to be an oxide ion Frenkel defect. This is considerably more favourable for the alpha form due to the asymmetric structure of this form. Incorporation of iron close to such a defect makes substitution on the Sb(III) site more favourable for the beta form.

اللغة الأصليةEnglish
الصفحات (من إلى)2361-2367
عدد الصفحات7
دوريةMaterials Research Bulletin
مستوى الصوت43
رقم الإصدار8-9
المعرِّفات الرقمية للأشياء
حالة النشرPublished - 2008

ASJC Scopus subject areas

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