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题名: A full spd tight-binding treatment for electronic bands of graphitic tubes
作者: Tang, Hui ;  Jiang, Jin-Wu ;  Wang, Bing-Shen ;  Su, Zhao-Bin
刊名: SOLID STATE COMMUNICATIONS
出版日期: 2009
卷号: 149, 期号:40910, 页码:82-86
关键词: CARBON NANOTUBES ;  ANGSTROM ;  TUBULES
学科分类: Physics
通讯作者: Tang, H , Chinese Acad Sci, Inst Theoret Phys, Beijing 100190, Peoples R China
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
英文摘要: 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.
收录类别: SCI
原文出处: 查看原文
WOS记录号: WOS:000261785200021
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/5413
Appears in Collections:理论物理所1978-2010年知识产出_期刊论文

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Recommended Citation:
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.
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