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Comparative study on transport and optical properties of silicon carbide nanoribbons with different terminations

  • Regular Article - Solid State and Materials
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Abstract

Silicon carbide nanoribbons (SiCNRs) are a novel layered material with potential value in the field of nanodevices. Based on the first-principles calculation, we investigated the effects of different terminations on the bandgap, transport, and optical properties of SiCNRs. The results show that for infinite width nanoribbons, the bandgap of SiCNSs with translational periodicity is increased and the optical anisotropy is more pronounced compared with that of SiCNTs with circular periodicity. For finite-width SiCNRs, impurity-like levels appear in the bandgap, which originate from the dispersion of the energy bands due to dangling bonds at the edges and nano-size effects, respectively. The dangling bonds are saturated with hydrogen atoms for hydrogen-passivated SiCNRs (H–SiCNRs), the energy levels are more discretized and the bandgap is reduced. Simulation of transport properties of different terminations shows that the variation range hopping mechanism caused by finite width is the dominant mechanism below room temperature, and the optical phonon scattering is the dominant mechanism above room temperature. In addition, the dielectric response of H–SiCNRs appeared in the deep-UV region. These findings are favorable for the application of SiC nanomaterials in optoelectronic devices.

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Data availability statement

All data generated or analysed during this study are included in this published article, and its supplementary information files.

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Acknowledgements

The authors thank the Natural Science Foundation of Hebei Province (Grant no. A2021203030), and the National Natural Science Foundation of China (Grant no. 11574261).

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Authors and Affiliations

  1. Key Laboratory for Microstructural Material Physics of Hebei Province, School of Science, Yanshan University, Qinhuangdao, 066004, China

    Ming-Yue Sun, Yi-Zhen Li, Wei-Kai Liu, Shuang-Shuang Kong, Pei Gong & Xiao-Yong Fang

  2. School of Mechanical Engineering, Yanshan University, Qinhuangdao, 066004, China

    Xiao-Xia Yu

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  1. Ming-Yue Sun
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Contributions

PG constructed the SiCNTs model, and made the original calculation. M-YS and Y-ZL constructed the SiCNSs and SiCNRs model, made the original calculation, data analysis and wrote this manuscript. W-KL and S-SK participated in data analysis. M-YS and X-YF designed all figures and tables. X-XY and X-YF provided guidance for the writing of the paper. All authors read and approved the final manuscript.

Corresponding author

Correspondence to Xiao-Yong Fang.

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Supplementary file1 (DOCX 522 KB)

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Sun, MY., Li, YZ., Yu, XX. et al. Comparative study on transport and optical properties of silicon carbide nanoribbons with different terminations. Eur. Phys. J. B 95, 142 (2022). https://doi.org/10.1140/epjb/s10051-022-00407-9

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  • DOI: https://doi.org/10.1140/epjb/s10051-022-00407-9

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