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The stability, electronic and optical properties of α-, β-, γ- and 6,6,12-graphyne-like BN sheets (labeled as BNyne) are systematically investigated by the first-principles calculations based on density functional theory (DFT). The combination of phonon dispersions and Molecular Dynamic (MD) reveals that these four BNynes are stable. All the BNynes structures are direct wide band gap semiconductor...
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