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Tuning electronic properties of bilayer α2-graphyne by external electric field: a density functional theory study

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Abstract

The structural and electronic properties of bilayer α2-graphyne under electric field are investigated using density functional theory. The results showed that monolayer and bilayer α2-graphyne are zero-gap semiconductors. The external electric field has a considerable effect on the energy band gap of bilayer α2-graphyne. The energy band gap of bilayer α2-graphyne increases with the increase in the applied electric field. The electric field perpendicular to the sheet opens the band gap up to 0.18 eV. Our finding opens up a possibility for designing graphyne based electronic devices which exhibit a controllable band gap.

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Acknowledgements

The work was supported by Shahid Rajaee Teacher Training University.

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Authors and Affiliations

  1. Department of Physics, Shahid Rajaee Teacher Training University, Lavizan, Tehran, 16788-15811, Iran

    Roya Majidi

  2. Department of Physics, Assam University, Silchar, 788011, India

    Utpal Sarkar

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  1. Roya Majidi
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  2. Utpal Sarkar
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Correspondence to Roya Majidi.

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Majidi, R., Sarkar, U. Tuning electronic properties of bilayer α2-graphyne by external electric field: a density functional theory study. Monatsh Chem 152, 61–66 (2021). https://doi.org/10.1007/s00706-020-02723-1

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  • DOI: https://doi.org/10.1007/s00706-020-02723-1

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