Fermi level dependent optical transition energy in metallic single-walled carbon nanotubes

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	Fermi level dependent optical transition energy in metallic single-walled carbon nanotubes
	L. C. Yin; H. M. Cheng; R. Saito; M. S. Dresselhaus
	2011
发表期刊	Carbon
ISSN	0008-6223
卷号	49 期号:14 页码:4774-4780
摘要	The influence of electron (hole) doping on the electronic structure of metallic single-walled carbon nanotubes (m-SWCNTs) is discussed by first principles calculations. The lattice constant c along the nanotube axis of m-SWCNTs (an (8,8) armchair and a (12,0) zigzag SWCNT, as examples) is calculated as a function of the Fermi energy. We find that the lengths of c for both sample nanotubes remain unchanged when the Fermi level changes between the first pair of van Hove singularities (VHS) states, while c decreases with increasing or decreasing Fermi level beyond that region. The decrease in c results in a decrease of the C-C bond length parallel to the tube axis (B(A)), while it increases the C-C bond length perpendicular to the tube axis (B(R)). By studying the energy separation (E(11)(M)) between the first pair of VHS states, we also find that E(11)(M) shows a similar behavior to those shown by c with changing Fermi level. Our study gives theoretical support for the optical properties of CNTs that are observed by electron/hole doping. (C) 2011 Elsevier Ltd. All rights reserved.
部门归属	[yin, li-chang; cheng, hui-ming] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [saito, riichiro] tohoku univ, dept phys, sendai, miyagi 9808578, japan. [dresselhaus, mildred s.] mit, dept elect engn & comp sci, cambridge, ma 02139 usa. [dresselhaus, mildred s.] mit, dept phys, cambridge, ma 02139 usa.;cheng, hm (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china;cheng@imr.ac.cn
关键词	Brillouin-zone Integrations Augmented-wave Method Raman-scattering Electronic-properties Thermal-expansion Spectroscopy Energetics Modes
URL	查看原文
WOS记录号	WOS:000295308300019
引用统计	被引频次：15[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/30846
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	L. C. Yin,H. M. Cheng,R. Saito,et al. Fermi level dependent optical transition energy in metallic single-walled carbon nanotubes[J]. Carbon,2011,49(14):4774-4780.
APA	L. C. Yin,H. M. Cheng,R. Saito,&M. S. Dresselhaus.(2011).Fermi level dependent optical transition energy in metallic single-walled carbon nanotubes.Carbon,49(14),4774-4780.
MLA	L. C. Yin,et al."Fermi level dependent optical transition energy in metallic single-walled carbon nanotubes".Carbon 49.14(2011):4774-4780.