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Effect of edge chemistry doping on the transport and optical properties for asymmetric armchair-edge graphene nanoribbons under a uniaxial strain

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Abstract

The effect of edge n-type nitrogen (N) and p-type oxygen (O) doping on the transport and optical properties for asymmetric 6- and 8-armchair-edge graphene nanoribbons (AGNRs) under a uniaxial strain has been demonstrated in the method of the first-principles density functional theory combined with nonequilibrium Green’s function. The transmission spectra and current–voltage (I–V) curves of the semiconducting 6- and metallic 8-AGNRs have been found to be qualitatively unchanged as the uniaxial strain along the armchair edge (Ac-strain), while the quantitative variations come from the mutual actions of the strain and edge doping. However, the observed semiconductor–metal transition and metal–semiconductor transition in the transport properties for 6- and 8-AGNRs should be mainly from the resonance scattering of the doping edges when the external strain is applied along the zigzag edge (Zz-strain). The distinct variation trends of the system transport properties are well confirmed from the optical absorption spectra. It is believed that the obtained results are of importance in exploiting chemistry at the reactive edges of the asymmetric AGNRs and strain engineering of the nanoelectronic/optoelectronic devices based on AGNRs.

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Acknowledgments

We thank Dr. Xuexian Yang for insightful discussions. This work was supported by the National Natural Science Foundation of China (Grant Nos. 11264013, 11264011 and 11447237), the Hunan Provincial Natural Science Foundation of China (Grant Nos. 12JJ4003 and 2015JJ6094), the Scientific Research Fund of Hunan Provincial Education Department of China (Grant Nos. 14B148 and 12C0311), the Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province, and the Research Program for employee of Jishou University (Grant No. jsdxkyzz201005).

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Authors and Affiliations

  1. College of Physics, Mechanical and Electrical Engineering, Jishou University, Jishou, 416000, China

    Wenhu Liao, Hairui Bao, Junji Guo & Heping Zhao

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  1. Wenhu Liao
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  2. Hairui Bao
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  3. Junji Guo
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Correspondence to Wenhu Liao.

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Liao, W., Bao, H., Guo, J. et al. Effect of edge chemistry doping on the transport and optical properties for asymmetric armchair-edge graphene nanoribbons under a uniaxial strain. Appl. Phys. A 120, 657–662 (2015). https://doi.org/10.1007/s00339-015-9234-9

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