A full spd tight-binding treatment for electronic bands of graphitic tubes

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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
刊名	SOLID STATE COMMUNICATIONS
	2009
卷号	149 期号:40910 页码:82-86
关键词	Carbon Nanotubes Angstrom Tubules
ISSN号	0038-1098
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.
学科主题	Physics
URL标识	查看原文
WOS记录号	WOS:000261785200021
公开日期	2012-08-02
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/5413]
专题	理论物理研究所_理论物理所1978-2010年知识产出
通讯作者	Tang, H , Chinese Acad Sci, Inst Theoret Phys, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	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.