Abstract
Based on two-dimensional green phosphorene, we designed two molecular electronic devices with zigzag (Type 1) and whisker-like (Type 2) configurations. By combining density functional theory (DFT) and non-equilibrium Green’s function (NEGF), we investigated the electronic properties of Types 1 and 2. Type 1 exhibits an interesting negative differential resistance (NDR), while the current characteristics of Type 2 show linear growth in the current–voltage curve. We studied the electronic transport properties of Type 1 under uniaxial strain modulation and find that strained devices also exhibit a NDR effect, and the peak-to-valley ratio of device could be controlled by varying the strain intensity. These results show that the transport properties of green phosphorene with different edge configuration are different, and the zigzag edge have adjustable negative differential resistance properties.
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