The electronic and magnetic properties of FCC iron clusters in FCC 4D metals

M. E. Elzain*, A. A. Yousif, A. D. Al Rawas, A. M. Gismelseed, H. Widatallah, K. Bouziani, I. Al-Omari

*المؤلف المقابل لهذا العمل

نتاج البحث: المساهمة في مجلةArticleمراجعة النظراء

2 اقتباسات (Scopus)

ملخص

The electronic and magnetic structures of small FCC iron clusters in FCC Rh, Pd and Ag were calculated using the discrete variational method as a function of cluster size and lattice relaxation. It was found that unrelaxed iron clusters, remain ferromagnetic as the cluster sizes increase, while for relaxed clusters antiferromagnetism develops as the size increases depending on the host metal. For iron in Rh the magnetic structure changes from ferromagnetic to antiferromagnetic for clusters as small as 13 Fe atoms, whereas for Fe in Ag antiferromagnetism is exhibited for clusters of 24 Fe atoms. On the hand, for Fe in Pd the transition from ferromagnetism to antiferromagnetism occurs for clusters as large as 42 Fe atoms. The difference in the magnetic trends of these Fe clusters is related to the electronic properties of the underlying metallic matrix. The local d densities of states, the magnetic moments and hyperfine parameters are calculated in the ferromagnetic and the antiferromagnetic regions. In addition, the average local moment in iron-palladium alloys is calculated and compared to experimental results.

اللغة الأصليةEnglish
الصفحات (من إلى)3-15
عدد الصفحات13
دوريةHyperfine Interactions
مستوى الصوت164
رقم الإصدار1-4
المعرِّفات الرقمية للأشياء
حالة النشرPublished - يوليو 2005

ASJC Scopus subject areas

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