Electronic and magnetic properties of armchair MoS2 nanoribbons under both external strain and electric field, studied by first principles calculations

The electronic and magnetic properties of armchair edge MoS2 nanoribbons (MoS2-ANRs) underboth the external strain and transverse electric field (Et) have been systematically investigated by using the first-principles calculations. It is found that: (1) If no electric field is applied, an interesting structural phase transition would appear under a large tensile strain, leading to a new phase MoS2-A'NR, and inducing a big jump peak of the band gap in the transition region. But, the band gap response to compressive strains is much different from that to tensile strain, showing no the structural phase transition. (2) Under the small tensile strains (