LAUSR

Although bulk SnP3 has been fabricated by experiments in the 1970’s, its electronic and optical properties within several layers have not been reported. Here, based on first-principles calculations, we have predicted two-dimensional SnP3 layers as new semiconducting materials that possess indirect band gaps of 0.71 eV (monolayer) and 1.03 eV (bilayer), which are different from the metallic character of bulk structure. Remarkably, 2D SnP3 possesses high hole mobility of 9.171 × 104 cm2·V−1·s−1 and high light absorption (~106 cm−1) in the whole visible spectrum, which predicts 2D SnP3 layers as prospective candidates for nanoelectronics and photovoltaics. Interestingly, we found that 2D SnP3 bilayer shows similar electronic and optical characters of silicon.Although bulk SnP3 has been fabricated by experiments in the 1970’s, its electronic and optical properties within several layers have not been reported. Here, based on first-principles calculations, we have predicted two-dimensional SnP3 layers as new semiconducting materials that possess indirect band gaps of 0.71 eV (monolayer) and 1.03 eV (bilayer), which are different from the metallic character of bulk structure. Remarkably, 2D SnP3 possesses high hole mobility of 9.171 × 104 cm2·V−1·s−1 and high light absorption (~106 cm−1) in the whole visible spectrum, which predicts 2D SnP3 layers as prospective candidates for nanoelectronics and photovoltaics. Interestingly, we found that 2D SnP3 bilayer shows similar electronic and optical characters of silicon.