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