The effect of line edge roughness defect on the electronic transport properties of Boron-doped graphene nanoribbon rectifier

Abstract

A rectifying behavior is achieved by means of boron doping in defected armchair graphene nanoribbon (AGNR). In the proposed AGNR device, the effect of line edge roughness (LER) is investigated on the electronic and transport characteristics. Moreover, the width of AGNR is changed by 6, 7 and 8 atoms in the fixed length, and the position of the boron doping is changed in the center or edge of the left electrode. The electronic features of the devices are analyzed through density function theory and non-equilibrium Green’s function method. The LER defect and any change in the doping position or the width of AGNR affect the energy alignments, molecular orbital levels, transfer functions and density of states (DOS) that lead to a change in the rectifying behavior of the device. Without the LER defect, rectifying ratio at the ribbon width of 7w in the presence of boron doping at the center, and edge is achieved 16 and 5.88, respectively. But interestingly, by considering the LER defect in the same situation these values increase to 362 and 102, respectively.