QQ客服 官方微博 反馈留言

	Elastic, electronic, and optical properties of two-dimensional graphyne sheet
	Kang, Jun1; Li, Jingbo1,2; Wu, Fengmin2; Li, Shu-Shen1; Xia, Jian-Bai1
刊名	Journal of physical chemistry c
	2011-10-27
卷号	115期号:42页码:20466-20470
ISSN号	1932-7447
DOI	10.1021/jp206751m
通讯作者	Li, jingbo(jbli@semi.ac.cn)
英文摘要	The elastic, electronic, and optical properties of the 2d graphyne sheet, which consists of hexagonal carbon rings and acetylenic linkages, are investigated from first-principles calculations. graphyne has a poisson's ratio of 0.417 and an in-plane stiffness of 10.36 ev/angstrom(2). compared with graphene, graphyne is much softer because of its relatively smaller number of bonds. the band structure of graphyne is calculated using both generalized gradient approximation and hybrid functional, and the band gap predicted by the latter is twice as much as that given by the former. it is also shown that the energy bands of graphyne can be divided into several regions according to bonding character. the optical property of graphyne is found to be strongly anisotropic. for electric field parallel to the graphyne plane, strong optical adsorption is observed in low-energy region, whereas for the electric field perpendicular to the graphyne plane, the adsorption in the low-energy region is very weak. what's more, the response of the band gap of graphyne to uniform strain is also studied, and we show that the band gap can be continuously modified under the strain.
WOS关键词	AUGMENTED-WAVE METHOD ; CARBON ; HETEROJUNCTIONS ; PREDICTIONS ; BARRIERS ; MOBILITY ; DEVICE
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
WOS类目	Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000296205600016
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2428232
专题	半导体研究所
通讯作者	Li, Jingbo
作者单位	1.Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China 2.Zhejiang Normal Univ, Jinhua 321004, Zhejiang, Peoples R China
推荐引用方式 GB/T 7714	Kang, Jun,Li, Jingbo,Wu, Fengmin,et al. Elastic, electronic, and optical properties of two-dimensional graphyne sheet[J]. Journal of physical chemistry c,2011,115(42):20466-20470.
APA	Kang, Jun,Li, Jingbo,Wu, Fengmin,Li, Shu-Shen,&Xia, Jian-Bai.(2011).Elastic, electronic, and optical properties of two-dimensional graphyne sheet.Journal of physical chemistry c,115(42),20466-20470.
MLA	Kang, Jun,et al."Elastic, electronic, and optical properties of two-dimensional graphyne sheet".Journal of physical chemistry c 115.42(2011):20466-20470.

个性服务

查看访问统计

相关权益政策

暂无数据

收藏/分享

除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。