First principles study of the electronic properties of twinned SiC nanowires

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	First principles study of the electronic properties of twinned SiC nanowires
	Li JB
刊名	journal of nanoparticle research
	2011
卷号	13 期号:1 页码:185-191
关键词	Twinned SiC nanowires Electronic properties Ab initio Modeling and simulation SILICON-CARBIDE NANOWIRES FIELD-EMISSION PROPERTIES MOLECULAR-BEAM EPITAXY INAS NANOWIRES GROWTH NANOTUBES NITRIDE DIFFUSION NANORODS ENERGY
ISSN号	1388-0764
通讯作者	wang, zg, univ elect sci & technol china. , dept appl phys, chengdu 610054, peoples r china. zgwang@uestc.edu.cn
学科主题	半导体物理
收录类别	SCI
资助信息	national natural science foundation of china [10704014]; young scientists foundation of sichuan [09zq026-029]; uestc [jx0731]; chinese academy of sciences ; national science fund for distinguished young scholar [60925016]
语种	英语
公开日期	2011-07-05 ; 2011-07-15
附注	the electronic properties of saturated and unsaturated twinned sic nanowires grown along [111] direction and surrounded by {111} facets are investigated using first-principles calculations with density functional theory and generalized gradient approximation. all the nanowires considered, including saturated and unsaturated ones, exhibit semiconducting characteristics. the saturated nanowires have a direct band gap and the band gap decreases with increasing diameters of the nanowires. the hexagonal (2h) stacking inside the cubic (3c) stacking has no effect on electronic properties of the sic nanowires. the highest occupied molecular orbitals and the lowest unoccupied molecular orbitals are distributed along the nanowire axis uniformly, which indicates that the twinned sic nanowires are good candidates in realizing nano-optoelectronic devices.
内容类型	期刊论文
源URL	[http://ir.semi.ac.cn/handle/172111/20925]
专题	半导体研究所_半导体超晶格国家重点实验室
推荐引用方式 GB/T 7714	Li JB. First principles study of the electronic properties of twinned SiC nanowires[J]. journal of nanoparticle research,2011,13(1):185-191.
APA	Li JB.(2011).First principles study of the electronic properties of twinned SiC nanowires.journal of nanoparticle research,13(1),185-191.
MLA	Li JB."First principles study of the electronic properties of twinned SiC nanowires".journal of nanoparticle research 13.1(2011):185-191.