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

Abstract

The effects of crack defects on electronic and magnetic properties of zigzag MoS 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 MoS 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 MoS nanoribbons. We further propose that the crack defects may also provide a useful tool for improving the performance of devices.

Strain-Modulated Magnetism in MoS2

“…Similar to ZnO [ 80 , 137 , 138 ] and graphene [ 4 , 10 ] NRs with zigzag-terminated edges, zigzag MoS 2 NRs also exhibit FM [ 17 , 80 ] independent of NRs width and thickness due to the edge atoms. In contrast, armchair NRs show non-magnetism (NM).…”

“…Here, we will give an overview of the timeline of strain-modulated magnetism in MoS 2 ( Figure 1 ). We first review theoretical progress in various MoS 2 systems, such as nanoribbons (NRs) [ 17 , 48 , 49 , 51 , 75 , 76 , 77 , 78 , 79 , 80 , 81 , 82 ], hydrogenated [ 53 , 67 ] or nitrogen-doped [ 70 , 83 ] systems, defective systems [ 27 , 57 , 60 , 61 , 63 , 84 , 85 , 86 , 87 , 88 , 89 , 90 , 91 , 92 , 93 , 94 ] and 3d transition metal ion-doped systems [ 55 , 58 , 68 , 88 , 95 , 96 , 97 , 98 , 99 , 100 , 101 , 102 , 103 ]. Then, we outline the methods of introducing strain, such as using pre-stretched substrates [ 104 , 105 ], bending flexi...…”