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A newly synthesized layered material C2N was investigated based on many- bodyperturbation theory using GW plus Bethe-Salpeter equation approach. Theelectronic band gap was determined to be ranging from 3.75 to 1.89 eV frommonolayer to bulk. Significant GW quasiparticle corrections, of more than 0.9eV, to the Kohn-Sham band gaps from the local density approximation (LDA)calculations are found. Strong excitonic effects play a crucial role in opticalproperties. We found large binding energies of greater than 0.6 eV for boundexcitons in few-layer C2N, while it is only 0.04 eV in bulk C2N. All thestructures exhibit strong and broad optical absorption in the visible lightregion, which makes C2N a promising candidate for solar energy conversion, suchas photocatalytic water splitting.

A many-body GW+BSE investigation of electronic and optical properties of C2N