Strain Effect Of Band Gap In Snte Monolayer

摘要

Using the first principle based on the density functional theory, the effects of uniaxial tensile and compressive strain on the band structures and electrical properties in SnTe monolayer were studied. The calculations results indicated that when a tensile strain of 0% to 10% was applied to the Zigzag direction, the band gap of the SnTe monolayer was continuously decrease, and the conductivity was enhanced. Similarly, when tensile strain was applied to the Armchair direction, the band gap of SnTe kept increasing, then SnTe can be converted to an insulator. As the compressive strain was applied to the Zigzag and Armchair directions respectively, the band gap of the SnTe monolayer was continuously reduced to 0, the conductivity was enhanced. It can predict that the SnTe monolayer can show metal property if the compressive strain reaches a certain range. A direct idea and feasibility verification for the electrical properties of strain-regulated two-dimensional materials are given by this result.