中国物理B ›› 2017, Vol. 26 ›› Issue (4): 47309-047309.doi: 10.1088/1674-1056/26/4/047309

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇    下一篇

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

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)   

  1. 1 School of Science, Yanshan University, Qinhuangdao 066004, China;
    2 Liren College, Yanshan University, Qinhuangdao 066004, China
  • 收稿日期:2016-12-12 修回日期:2017-02-03 出版日期:2017-04-05 发布日期:2017-04-05
  • 通讯作者: Xiao-Yong Fang E-mail:fang@ysu.edu.cn
  • 基金资助:
    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).

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

Yan-Jing Li(李彦景)1, Ya-Lin Li(李亚林)2, Shu-Long Li(李树龙)1, Pei Gong(龚裴)1, Xiao-Yong Fang(房晓勇)1   

  1. 1 School of Science, Yanshan University, Qinhuangdao 066004, China;
    2 Liren College, Yanshan University, Qinhuangdao 066004, China
  • Received:2016-12-12 Revised:2017-02-03 Online:2017-04-05 Published:2017-04-05
  • Contact: Xiao-Yong Fang E-mail:fang@ysu.edu.cn
  • Supported by:
    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).

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摘要： 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.

关键词: silicon carbon nanowires, stability, electronic properties, optical properties, first-principles theory

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.

Key words: silicon carbon nanowires, stability, electronic properties, optical properties, first-principles theory

中图分类号:  (Other inorganic semiconductors)

  • 73.61.Le
81.07.Gf (Nanowires) 73.63.Nm (Quantum wires) 78.67.Uh (Nanowires)