Statistical distribution of charge carriers in several two-dimensional intrinsic semiconductors

Abstract

The relationship between the intrinsic carrier concentration and temperature in traditional semiconductors has been studied. However, in two-dimensional semiconductors, which are expected to overcome the bottleneck of Moore's law, the distribution of intrinsic carrier concentrations remains unclear. Here, we employ first-principles calculations to investigate the correlation between carrier concentration and temperature in several two-dimensional semiconductors, including molybdenum disulfide, hexagonal boron phosphide, black phosphorus, zirconium diiodide, tin telluride and hexagonal boron antimonide. On the basis of the parabolic band dispersion, we theoretically derive analytical forms for carrier concentration. Combining with numerical results and analytical forms, we calculate effective mass of charge carriers and obtain the effective density of states function in the conduction band and the valence band at room temperature. Furthermore, we identify the range of impurity concentration required for fabricating doped semiconductor devices. Our investigation provides a theoretical basis for the application of two-dimensional semiconductors in devices.