The transport properties and new device design: the case of 6,6,12-graphyne nanoribbons

By performing first-principle quantum transport calculations, we studied the transport properties of three kinds of 6,6,12-graphyne nanoribbons with different edges and different cutting directions. The nanoribbon with zigzag edges shows metallic properties and the spin-polarized currents show an obvious negative differential resistance effect, the other two nanoribbons terminated by a phenyl ring are semiconductors and spin-unpolarized. We also designed several nanowire devices based on these 6,6,12-graphyne nanoribbons, such as rectifier, spin filter diode, spin FET and spin caloritronics devices. These results indicate that 6,6,12-graphyne is a potential candidate for spintronics and spin caloritronics.