کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1812078 | 1025607 | 2011 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Geometrical effects of (14N@C60)2, 14N@C60 and C59N endohedral fullerenes within single-walled carbon nanotube as peapods on electronic structure and magnetic properties
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Design of spin labels inside for possible molecular spintronics, which contains of 1D spin chain filling single-walled carbon nanotube (SWCNT) with magnetic endohedral fullerenes of (14N@C60)2, 14N@C60 and C59N has been proposed. Electronic structure and magnetic properties of (14N@C60)2-SWCNT, 14N@C60-SWCNT, 14N@C60 and C59N were characterized. Geometrical effect of (14N@C60)2, 14N@C60 and C59N within SWCNT on chemical shift of 13C, principal g-tensor, A-tensor in hfc of nitrogen atom and excited state transition was investigated by ab-initio density functional theory. The magnetic properties would be originated in the spin density distribution with Ï-electron interaction between encapsulated fullerenes and inner surface on SWCNT and extent of charge transfer.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 406, Issue 17, 1 September 2011, Pages 3274-3278
Journal: Physica B: Condensed Matter - Volume 406, Issue 17, 1 September 2011, Pages 3274-3278
نویسندگان
Atsushi Suzuki, Takeo Oku,