摘要
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 9.17×10^4cm^2·V^-1s^-1 and high light absorption(~10^6 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.
基金
supported by the National Natural Science Foundation of China(No.11604146,No.51522206,and No.11774173)
a Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions,Outstanding Youth Fund of Nanjing Forestry University(NLJQ2015-03)
the Fundamental Research Funds for the Central Universities(No.30915011203)
the support from the Shanghai Supercomputer Centre
