Electronic and magnetism properties of half-bare zigzag silicon carbon nanoribbons from hybrid density functional calculations

Electronic and magnetic properties of half-bare zigzag silicon carbon nanoribbons (ZSiCNRs) have been studied by using HSE06 hybrid function. The calculation results show that the ZSiCNRs with bare Si edge and terminated C edge are metal with 1.3 μ B magnetic moments per supercell. While the half-bare ZSiCNRs with bare C edge are small band gap semiconductor with 2 μ B magnetic moments per supercell. Stable magnetism of the half-bare ZSiCNRs can be demonstrated by the total energy calculations of different spin configurations. It is found that the magnetic coupling of half-bare ZSiCNRs depends on the bare edge atoms, regardless of the terminated atoms (H or F). Our results indicate that the half-bare ZSiCNRs with turnable electronic and magnetic properties have potential applications in spintronic nanodevices.