Quasiparticle and optical properties of monolayer C<sub>3</sub>N

ORAL

Abstract

Highly ordered honeycomb structure carbon nitride (C3N) is an emerging 2D material that has attracted much interest recently. The (indirect) band gap of this material has recently be predicted to be about 1.5 eV [1]. In this work, we present fully converged GW+BSE results for monolayer C3N. The calculated the GW band gap of monolayer C3N is about 1.5 eV, an ideal value for electronics applications. Detailed investigations of the band-edge electronic states suggest a strong band edge absorption. Our fully converged GW+BSE calculation predicts an optical gap about 1.9 eV, with an excitonic binding energy of 0.7 eV.

[1] 2D Mater. 6, 015018 (2019)

*This work is supported in part by the NSF (Grant No. DMR-1506669 and DMR-1626967).

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Presenters

  • Zhao Tang

    • State Univ of NY - Buffalo

Authors

  • Zhao Tang

    • State Univ of NY - Buffalo

  • Weiyi Xia

    • State Univ of NY - Buffalo

  • Yabei Wu

    • Department of Physics, Southern University of Science and Technology

  • Wenqing Zhang

    • Department of Physics, Southern University of Science and Technology

  • Peihong Zhang

    • Physics, University at Buffalo
    • State Univ of NY - Buffalo