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A full spd tight-binding treatment for electronic bands of graphitic tubes
Tang, Hui; Jiang, Jin-Wu; Wang, Bing-Shen; Su, Zhao-Bin; Tang, H , Chinese Acad Sci, Inst Theoret Phys, Beijing 100190, Peoples R China
2009
发表期刊SOLID STATE COMMUNICATIONS
ISSN0038-1098
卷号149期号:40910页码:82-86
摘要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 synnmetry-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. (C) 2008 Elsevier Ltd. All rights reserved.
部门归属[Tang, H; Jiang, JW; Su, ZB] Chinese Acad Sci, Inst Theoret Phys, Beijing 100190, Peoples R China; [Tang, H] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China; [Wang, BS] Chinese Acad Sci, State Key Lab Semicond Superlattice & Microstruct, Beijing 100083, Peoples R China; [Wang, BS] Chinese Acad Sci, Inst Semicond, Beijing 100083, Peoples R China
关键词Carbon Nanotubes Angstrom Tubules
学科领域Physics
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收录类别SCI
WOS记录号WOS:000261785200021
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被引频次:10[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/5413
专题理论物理所SCI论文
通讯作者Tang, H , Chinese Acad Sci, Inst Theoret Phys, Beijing 100190, Peoples R China
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Tang, Hui,Jiang, Jin-Wu,Wang, Bing-Shen,et al. A full spd tight-binding treatment for electronic bands of graphitic tubes[J]. SOLID STATE COMMUNICATIONS,2009,149(40910):82-86.
APA Tang, Hui,Jiang, Jin-Wu,Wang, Bing-Shen,Su, Zhao-Bin,&Tang, H , Chinese Acad Sci, Inst Theoret Phys, Beijing 100190, Peoples R China.(2009).A full spd tight-binding treatment for electronic bands of graphitic tubes.SOLID STATE COMMUNICATIONS,149(40910),82-86.
MLA Tang, Hui,et al."A full spd tight-binding treatment for electronic bands of graphitic tubes".SOLID STATE COMMUNICATIONS 149.40910(2009):82-86.
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