首页|First-principle study of the structural, electronic, and optical properties of SiC nanowires

First-principle study of the structural, electronic, and optical properties of SiC nanowires

扫码查看
原文链接
  • NETL
  • NSTL
  • 万方数据
We preform first-principle calculations for the geometric,electronic structures and optical properties of SiC nanowires (NWs).The dielectric functions dominated by electronic interband transitions are investigated in terms of the calculated optical response functions.The calculated results reveal that the SiC NW is an indirect band-gap semiconductor material except at a minimum SiC NW (n =12) diameter,showing that the NW (n =12) is metallic.Charge density indicates that the Si-C bond of SiC NW has mixed ionic and covalent characteristics:the covalent character is stronger than the ionic character,and shows strong s-p hybrid orbit characteristics.Moreover,the band gap increases as the SiC NW diameter increases.This shows a significant quantum size and surface effect.The optical properties indicate that the obvious dielectric absorption peaks shift towards the high energy,and that there is a blue shift phenomenon in the ultraviolet region.These results show that SiC NW is a promising optoelectronic material for the potential applications in ultraviolet photoelectron devices.

SiCfirst-principle calculationnanowireselectronic structure

Wei-Hu Zhang、Fu-Chun Zhang、Wei-Bin Zhang、Shao-Lin Zhang、Woochul Yang

展开 >

Communication and Information Engineering College, Xi'an University of Science and Technology, Xi'an 710068, China

College of Physics and Electronic Information, Yan'an University, Yan'an 716000, China

Department of Physics, Dongguk University, Seoul 100715, Korea

National Natural Science Foundation of ChinaSpecial Research Funds for Discipline Construction of High Level University Project,ChinaBasic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of EducationBasic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education

616640082015SXTS022015R1D1A1A010589912016R1A6A1A03012877

2017

10.1088/1674-1056/26/5/057103

中国物理B(英文版)
中国物理学会和中国科学院物理研究所

中国物理B(英文版)

CSTPCDCSCDSCIEI
影响因子：0.995
ISSN：1674-1056
年,卷(期)：2017.26(5)
  • 34