Electron Transport Properties of Two-Dimensional Si_1P_1 Molecular Junctions

We focus on two new 2D materials, i.e., monolayer and bilayer silicon phosphides (Si_1P_1). Based on the elastic-scattering Green's function, the electronic-transport properties of two-dimensional monolayer and bilayer Au-Si_1P_1-Au molecular junctions are studied. It is found that their bandgaps are narrow (0.16 eV for a monolayer molecular junction and 0.26 eV for a bilayer molecular junction). Moreover, the calculated current-voltage characteristics indicate that the monolayer molecular junction provides constant output current (20 nA) over a wide voltage range, and the bilayer molecular junction provides higher current (42 nA).