کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1813874 1525249 2008 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ab initio density functional theory investigation of structural and electronic properties of silicon carbide nanotube bundles
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
Ab initio density functional theory investigation of structural and electronic properties of silicon carbide nanotube bundles
چکیده انگلیسی

By using ab initio density functional theory the structural and electronic properties of isolated and bundled (8,0) and (6,6) silicon carbide nanotubes (SiCNTs) are investigated. Our results show that for such small diameter nanotubes the inter-tube interaction causes a very small radial deformation, while band splitting and reduction of the semiconducting energy band gap are significant. We compared the equilibrium interaction energy and inter-tube separation distance of (8,0) SiCNT bundle with (10,0) carbon nanotube (CNT) bundle where they have the same radius. We found that there is a larger inter-tube separation and weaker inter-tube interaction in the (8,0) SiCNT bundle with respect to (10,0) CNT bundle, although they have the same radius.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 403, Issues 19–20, 1 October 2008, Pages 3623–3626
نویسندگان
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