Anisotropic electronic transport properties in two-dimensional ferroelectric In2Se3 monolayer

We investigate the electronic structure and electronic transport properties of two-dimensional (2D) In2Se3 monolayer, using density functional theory combined with the nonequilibrium Green’s function (NEGF) method. Two ferroelectric phases of In2Se3 monolayer with zincblende (ZB) and wurtzite (WZ) structures are included, along the zigzag (ZZ) and armchair (AC) directions, respectively. The current–voltage (I–V) characteristics show that the ZB In2Se3 monolayer along the ZZ direction is better for electronic transport. The voltage drop contour reveals that along the ZZ direction, the Se atom has 3 paths to the adjacent Se atoms, while along the AC direction, it reduces to 2 paths. The momentum-dependent transmission reveals that in the process of transformation from the left electrode to the right electrode, there are momentum exchanges among electrons, which is of importance to electronic transport.