Structural, electronic, and optical properties of hexagonal and triangular SiC NWs with different diameters

doi:10.1088/1674-1056/26/4/047309

Abstract Silicon carbide (SiC) is a wideband gap semiconductor with great application prospects, and the SiC nanomaterials have attracted more and more attention because of their unique photoelectric properties. According to the first-principles calculations, we investigate the effects of diameter on the electronic and optical properties of triangular SiC NWs (T-NWs) and hexagonal SiC NWs (H-NWs). The results show that the structure of H-NWs is more stable than T-NWs, and the conduction band bottom of H-NWs is more and more deviated from the valence band top, while the conduction band bottom of T-NWs is closer to the valence band top. What is more, H-NWs and T-NWs have anisotropic optical properties. The result may be helpful in developing the photoelectric materials.

Keywords: silicon carbon nanowires stability electronic properties optical properties first-principles theory

Received: 12 December 2016
Revised: 03 February 2017
Accepted manuscript online:

PACS:	73.61.Le	(Other inorganic semiconductors)
	81.07.Gf	(Nanowires)
	73.63.Nm	(Quantum wires)
	78.67.Uh	(Nanowires)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 11574261) and the Natural Science Foundation of Hebei Province, China (Grant No. A2015203261).

Corresponding Authors: Xiao-Yong Fang
E-mail: fang@ysu.edu.cn

Cite this article:

Yan-Jing Li(李彦景), Ya-Lin Li(李亚林), Shu-Long Li(李树龙), Pei Gong(龚裴), Xiao-Yong Fang(房晓勇) Structural, electronic, and optical properties of hexagonal and triangular SiC NWs with different diameters 2017 Chin. Phys. B 26 047309

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Structural, electronic, and optical properties of hexagonal and triangular SiC NWs with different diameters

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