Flexible modulation of electronic and magnetic properties of zigzag H-MoS2 nanoribbons by crack defects

The effects of crack defects on electronic and magnetic properties of zigzag MoS2 nanoribbons are investigated systematically by first-principles calculations based on spin-polarized density functional theory. We find that not only the electronic and spin transport ability of zigzag MoS2 nanoribbons can be enhanced significantly by the armchair crack defects, but also their magnetism could be modulated flexibly by crack defects. Our study suggests that the introduction of crack defect is a feasible way to modulate the electronic and magnetic properties of zigzag MoS2 nanoribbons. We further propose that the crack defects may also provide a useful tool for improving the performance of devices.