کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1865123 | 1530637 | 2007 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structure and magnetic properties of cobalt doped Sin (n=2-14) clusters
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موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک و نجوم (عمومی)
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چکیده انگلیسی
The structure and magnetic properties of cobalt doped Sin (n=2-14) clusters have been systematically studied using density functional theory (DFT). For each cluster size, extensive search of the lowest-energy structure has been conducted by considering a number of structural isomers. The equilibrium site of the Co atom in the ground-state structures of SinCo clusters gradually moves from convex, surface, to interior sites as the number of Si atom increases from 2 to 14. Starting from Si10Co, Co atom is fully encapsulated by the Si outer cages. The magnetic moment of Co atom in SinCo clusters is completely quenched at n=7, due to charge transfer and strong hybridization between 4s and 3d states of Co and 3s and 3p states of Si.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 367, Issues 4â5, 30 July 2007, Pages 335-344
Journal: Physics Letters A - Volume 367, Issues 4â5, 30 July 2007, Pages 335-344
نویسندگان
Jianguang Wang, Jijun Zhao, Li Ma, Baolin Wang, Guanghou Wang,