The electronic properties and application of sawtoothlike C3N nanoribbon

The two-dimensional material C3N is expected to be an ideal material for the next generation of high-strength electronic devices based on its excellent properties. Here we systemically study the electronic properties for the sawtoothlike C3N nanoribbons by using the first principles calculations. We find that the fully polarized system occurs for specific windows of energies in the pristine nanoribbons. Passivation of the nanoribbons edges with hydrogen atoms can enhance the stability of the nanoribbon and change its electronic properties. The passivated Tree-saw C3N nanoribbons transforms into a direct band gap semiconductor. While the passivated Christmas tree C3N nanoribbons exhibit semiconducting or metallic properties depending on the edge. Finally, we propose a molecular junction based on the zigzag graphene nanoribbons electrode. The computational results imply that the device can be used as a rectifier or a spin valve. These results are helpful expand the application of C3N in nanoelectronic devices.