Bias dependent transport property of defective hydrogen passivated tilted black phosphorene nanoribbon

Using the density functional theory and non-equilibrium Green's function method, we investigated the bias dependent transport property of point defective hydrogen passivated tilted phosphorene nanoribbons. Here, we calculated the I-V curve by changing the defect position. Here, three different defect sites were considered; edge, central defect, and mid-point defect between edge and central region. It was found that the I-V characteristic was substantially sensitive to the defect position because the onset bias voltage and the increment in the current with bias were different from each other. Besides, unlike the conventional belief, we obtained that the magnitude of the current due to the point defect was four to five times enhanced compared with that in the defect-free pristine nanoribbon structure. We found that the simple analysis based on the Fermi level shifting at finite bias was not enough to explain the I-V curve. Instead, we realized that it was necessary to consider both bias dependent transmission coefficient and density of states in the scattering region to explain the I-V curve.