Microscopic model for the strain-driven direct to indirect band-gap transition in monolayer MoS2 and ZnO

作者:Das Ruma*; Rakshit Bipul; Debnath Saikat; Mahadevan Priya
来源:Physical Review B, 2014, 89(11): 115201.
DOI:10.1103/PhysRevB.89.115201

摘要

At the monolayer limit both MoS2 and the graphitic phase of ZnO have a direct band gap. Biaxial tensile strain has been found to induce a transition into an indirect band-gap semiconductor with the strain percentage required for the transition equal to 0.83% for MoS2 and 8% for ZnO, respectively. A low strain percentage is desirable for possible device applications. We identify a simple design principle which could be used to identify materials requiring a small strain to induce such a transition. A scaling of the hopping interaction strengths according to Harrison's law within a tight-binding model for MoS2 is able to capture the effect.

  • 出版日期2014-3-6