کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1595687 1645419 2009 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A full spd tight-binding treatment for electronic bands of graphitic tubes
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
A full spd tight-binding treatment for electronic bands of graphitic tubes
چکیده انگلیسی

A tight-binding (TB) treatment with the inclusion of d orbitals is applied to the electronic structures of graphitic tubes. The results show that the high angular moment bases in TB scheme are necessary to account the severe curvature effect in ultra-thin single wall carbon nanotubes, especially for properly reproducing the band edge overlap behavior in (5, 0) tube, predicted by the existing ab initio calculations. In the large diameter limit, the participation of two symmetry-allowed d bases provides a natural replication to the recent measured electronic dispersions of valence band of graphene when the strong anisotropy due to the two-dimensional planar hexagonal sheet structure is dealt with properly. In addition, the detailed relation between the two sets of quantum numbers of screw symmetry and that of zone folding is formulated in appendix.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 149, Issues 1–2, January 2009, Pages 82–86
نویسندگان
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