Abstract:
Although bulk SnP
3 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 SnP
3 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 SnP
3 possesses high hole mobility of 9.171×10
4 cm
2?V
-1?s
-1 and high light absorption (∽10
6 cm
-1) in the whole visible spectrum, which predicts 2D SnP
3 layers as prospective candidates for nanoelectronics and photovoltaics. Interestingly, we found that 2D SnP
3 bilayer shows similar electronic and optical characters of silicon.