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	First principles study of the electronic properties of twinned sic nanowires
	Wang, Zhiguo1,2; Wang, Shengjie1; Zhang, Chunlai1; Li, Jingbo2
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
ISSN号	1388-0764
DOI	10.1007/s11051-010-0017-0
通讯作者	Wang, zhiguo(zgwang@uestc.edu.cn)
英文摘要	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.
WOS关键词	SILICON-CARBIDE NANOWIRES ; FIELD-EMISSION PROPERTIES ; MOLECULAR-BEAM EPITAXY ; INAS NANOWIRES ; GROWTH ; NANOTUBES ; NITRIDE ; DIFFUSION ; NANORODS ; ENERGY
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
WOS类目	Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
语种	英语
出版者	SPRINGER
WOS记录号	WOS:000286667000019
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2428346
专题	半导体研究所
通讯作者	Wang, Zhiguo
作者单位	1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China 2.Chinese Acad Sci, State Key Lab Superlattices & Microstruct, Inst Semicond, Beijing 100083, Peoples R China
推荐引用方式 GB/T 7714	Wang, Zhiguo,Wang, Shengjie,Zhang, Chunlai,et al. First principles study of the electronic properties of twinned sic nanowires[J]. Journal of nanoparticle research,2011,13(1):185-191.
APA	Wang, Zhiguo,Wang, Shengjie,Zhang, Chunlai,&Li, Jingbo.(2011).First principles study of the electronic properties of twinned sic nanowires.Journal of nanoparticle research,13(1),185-191.
MLA	Wang, Zhiguo,et al."First principles study of the electronic properties of twinned sic nanowires".Journal of nanoparticle research 13.1(2011):185-191.

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