中国物理B ›› 2015, Vol. 24 ›› Issue (12): 127802-127802.doi: 10.1088/1674-1056/24/12/127802

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

Optical properties of F-and H-terminated armchair silicon nanoribbons

鲁道邦, 濮春英, 宋玉玲, 潘群娜, 周大伟, 徐海如   

  1. College of Physics and Electronic Engineering, Nanyang Normal University, Nanyang 473061, China
  • 收稿日期:2015-05-21 修回日期:2015-08-21 出版日期:2015-12-05 发布日期:2015-12-05
  • 通讯作者: Song Yu-Ling E-mail:yuling985@163.com
  • 基金资助:
    Project supported by the Henan Provincial Joint Funds of the National Natural Science Foundation of China (Grant Nos. U1404608 and U1304612), the Science and Technology Key Projects of Henan Province, China (Grant No. 1502102210124), and the Special Fund for Theoretical Science Foundation of Nanyang Normal University, China (Grant No. ZX2013018).

Optical properties of F-and H-terminated armchair silicon nanoribbons

Lu Dao-Bang (鲁道邦), Pu Chun-Ying (濮春英), Song Yu-Ling (宋玉玲), Pan Qun-Na (潘群娜), Zhou Da-Wei (周大伟), Xu Hai-Ru (徐海如)   

  1. College of Physics and Electronic Engineering, Nanyang Normal University, Nanyang 473061, China
  • Received:2015-05-21 Revised:2015-08-21 Online:2015-12-05 Published:2015-12-05
  • Contact: Song Yu-Ling E-mail:yuling985@163.com
  • Supported by:
    Project supported by the Henan Provincial Joint Funds of the National Natural Science Foundation of China (Grant Nos. U1404608 and U1304612), the Science and Technology Key Projects of Henan Province, China (Grant No. 1502102210124), and the Special Fund for Theoretical Science Foundation of Nanyang Normal University, China (Grant No. ZX2013018).

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摘要： The optical properties of F-and H-terminated silicon nanoribbons with armchair edges (F-and H-terminated ASiNRs) are compared by using the first-principles within the density function theory (DFT) framework. The results show that compared with for H-terminated 7-ASiNR, the dielectric function for the F-terminated 7-ASiNR has a red shift, which is mainly attributed to the narrower band gap because of the σ-π mixing effect of F-Si bonds in F-terminated 7-ASiNR. The peaks in the energy loss spectra for both systems represent the characteristics associated with the plasma resonance, which correspond to the trailing edges in the reflection spectra. These properties show that the different terminated atoms in 7-ASiNRs affect mainly the optical properties in the low energy range. Because of the rich optical properties, the 7-ASiNR could be a potential candidate for photoelectric nanodevice.

关键词: ASiNRs, optical properties, first principle, termination

Abstract: The optical properties of F-and H-terminated silicon nanoribbons with armchair edges (F-and H-terminated ASiNRs) are compared by using the first-principles within the density function theory (DFT) framework. The results show that compared with for H-terminated 7-ASiNR, the dielectric function for the F-terminated 7-ASiNR has a red shift, which is mainly attributed to the narrower band gap because of the σ-π mixing effect of F-Si bonds in F-terminated 7-ASiNR. The peaks in the energy loss spectra for both systems represent the characteristics associated with the plasma resonance, which correspond to the trailing edges in the reflection spectra. These properties show that the different terminated atoms in 7-ASiNRs affect mainly the optical properties in the low energy range. Because of the rich optical properties, the 7-ASiNR could be a potential candidate for photoelectric nanodevice.

Key words: ASiNRs, optical properties, first principle, termination

中图分类号:  (Optical properties of low-dimensional, mesoscopic, and nanoscale materials and structures)

  • 78.67.-n
73.22.-f (Electronic structure of nanoscale materials and related systems) 71.15.Mb (Density functional theory, local density approximation, gradient and other corrections) 73.22.Pr (Electronic structure of graphene)