Chin. Phys. Lett.  2018, Vol. 35 Issue (11): 117801    DOI: 10.1088/0256-307X/35/11/117801
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
First Principle Study on Optical Properties of Tri-Group Doped (6,6) SiC Nanotubes
Pei GONG, Ya-Lin LI, Ya-Hui JIA, Xiao-Yong FANG**
Key Laboratory for Microstructural Material Physics of Hebei Province, School of Science, Yanshan University, Qinhuangdao 066004
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Pei GONG, Ya-Lin LI, Ya-Hui JIA et al  2018 Chin. Phys. Lett. 35 117801
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Abstract The optical properties of tri-group (B, Al, Ga, In) doped (6,6) SiC nanotubes (SiCNTs) are studied from first principles. The results show that the main absorption and dispersion of SiCNTs caused by the intrinsic transition appear in the ultraviolet-visible region (below 500 nm), and the tri-group doping increases the minimum dielectric constant value resulting in enhanced transmittance. In addition, the tri-group doping can introduce a weak absorption and dispersion region in the near-mid-infrared region, and the response peak blue shifts as the diameter of the doping atom increases. Comparative studies of reflectance, absorptivity, and transmittance show that the key factors affecting the transmittance of SiCNTs are reflectance (or refractive index) rather than absorption coefficient.
Received: 27 July 2018      Published: 23 October 2018
PACS:  78.66.Li (Other semiconductors)  
  78.67.Ch (Nanotubes)  
  74.62.Dh (Effects of crystal defects, doping and substitution)  
  63.20.dk (First-principles theory)  
Fund: Supported by the National Natural Science Foundation of China under Grant Nos 11574261 and 51132002, and the Natural Science Foundation of Hebei Province under Grant No A2015203261.
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https://cpl.iphy.ac.cn/10.1088/0256-307X/35/11/117801       OR      https://cpl.iphy.ac.cn/Y2018/V35/I11/117801
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Pei GONG
Ya-Lin LI
Ya-Hui JIA
Xiao-Yong FANG
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