Electronic Band Gap Tuning and Calculations of Mechanical Strength and Deformation Potential by Applying Uniaxial Strain on MX (M = Cr, Mo, W and X = S, Se) Monolayers and Nanoribbons.

Two-dimensional (2D) transition-metal dichalcogenides (TMDs) are new crystalline materials with exotic electronic, mechanical, and optical properties. Due to their inherent exceptional mechanical strength, these 2D materials provide us the best platform for strain engineering. In this study, we have performed first-principles calculations to study the effect of uniaxial strains on the electronic, magnetic, and mechanical properties of transition-metal dichalcogenides (TMDs) MX (where M = Cr, Mo, W and X = S, Se), monolayers (2D), and armchair and zigzag nanoribbons (1D).