First-principles study for transport properties of armchair carbon nanotubes with a double vacancy under strain

IMR OpenIR

	First-principles study for transport properties of armchair carbon nanotubes with a double vacancy under strain
	Z. Li; C. Y. Wang; X. Zhang; S. H. Ke; W. Yang
	2008
发表期刊	Journal of Applied Physics
ISSN	0021-8979
卷号	103 期号:11
摘要	Vacancies are one of the most important defects in carbon nanotubes (CNTs). Vacancies could affect the mechanical, chemical, and electronic properties of CNTs. In this study, we first use first-principles plane-wave calculation to optimize the structure of single-walled CNTs with a double vacancy under 0%, 3%, and 6% strains, respectively. Then, we use the single-particle Green function method to calculate their transport properties. It is found that different strains cause different local structures near the defect, which change the transmission function around the Fermi energy, and the conductance tends to be maximized under similar to 3% strain. (C) 2008 American Institute of Physics.
部门归属	[li, zi; wang, chong-yu; zhang, xu] tsinghua univ, dept phys, beijing 100084, peoples r china. [wang, chong-yu] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. [ke, san-huang; yang, weitao] duke univ, dept chem, durham, nc 27708 usa.;li, z (reprint author), tsinghua univ, dept phys, beijing 100084, peoples r china;lizi@mails.tsinghua.edu.cn
关键词	Electronic-structure Conductance Defects Tubules
URL	查看原文
WOS记录号	WOS:000256706200056
引用统计	被引频次：5[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/321006/32911
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. Li,C. Y. Wang,X. Zhang,et al. First-principles study for transport properties of armchair carbon nanotubes with a double vacancy under strain[J]. Journal of Applied Physics,2008,103(11).
APA	Z. Li,C. Y. Wang,X. Zhang,S. H. Ke,&W. Yang.(2008).First-principles study for transport properties of armchair carbon nanotubes with a double vacancy under strain.Journal of Applied Physics,103(11).
MLA	Z. Li,et al."First-principles study for transport properties of armchair carbon nanotubes with a double vacancy under strain".Journal of Applied Physics 103.11(2008).