Rectification of graphene self-switching diodes: First-principles study

The first principles calculations based on self-consistent charge density functional tight-binding have performed to investigate the electrical properties and rectification behavior of the graphene self-switching diodes (GSSD). The devices contained two structures called CG-GSSD and DG-GSSD which have metallic or semiconductor gates depending on their side gates have a single or double hydrogen edge functionalized. We have relaxed the devices and calculated I-V curves, transmission spectrums and maximum rectification ratios. We found that the DG-MSM devices are more favorable and more stable. Also, the DG-MSM devices have better maximum rectification ratios and current. Moreover, by changing the side gates widths and behaviors from semiconductor to metal, the threshold voltages under forward bias changed from +1.2 V to +0.3 V. Also, the maximum currents are obtained from 1.12 μA to 10.50 μA. Finally, the MSM and SSS type of all devices have minimum and maximum values of voltage threshold and maximum rectification ratios, but the 769-DG devices don't obey this rule.