An ab initio study of strained two-dimensional MoSe

We have studied the electronic properties of molybdenum diselenide（MoSe;） in both bulk and monolayer（zigzag and armchair） forms using density function theory.The metallic nature of the zigzag MoSe;（ZMoSe;）nanoribbon and the semiconducting behavior of the armchair MoSe;（AMoSe;） nanoribbon have been explored using a band structure calculated using self-consistent calculations.We have also studied the variation in the bandgap in the presence of a small amount of strain（uniaxial,biaxial）.The effect of tensile strain has been investigated and shifts in the conduction band and valance band have been observed with different amounts of applied strain.