Tuning magnetism and electronic phase transitions by strain and electric field in zigzag MoS ₂ Nanoribbons

Effective modulation of physical properties via external control may open various potential nanoelectronic applications of single-layer MoS ₂ nanoribbons (MoS ₂NRs). We show by first-principles calculations that the magnetic and electronic properties of zigzag MoS ₂NRs exhibit sensitive response to applied strain and electric field. Tensile strain in the zigzag direction produces reversible modulation of magnetic moments and electronic phase transitions among metallic, half-metallic, and semiconducting states, which stem from the energy-level shifts induced by an internal electric polarization and the competing covalent/ionic interactions. A simultaneously applied electric field further enhances or suppresses the strain-induced modulations depending on the direction of the electric field relative to the internal polarization. These findings suggest a robust and efficient approach to modulating the properties of MoS ₂NRs by a combination of strain engineering and electric field tuning.