Giant valley drifts in uniaxially strained monolayer MoS$_2$

POSTER

Abstract

Using first-principles calculations, we study the electronic structure of monolayer MoS$_2$ under uniaxial strain. We show that the energy valleys drift far off the corners of the Brillouin zone (K points), about 12 times the amount observed in graphene. Therefore, it is essential to take this effect into consideration for a correct identification of the band gap. The system remains a direct band gap semiconductor up to 4\% uniaxial strain, while the size of the band gap decreases from 1.73 to 1.54 eV. We also demonstrate that the splitting of the valence bands due to inversion symmetry breaking and spin-orbit coupling is not sensitive to strain.

*Computational resources have been provided by KAUST IT. This work is supported by a KAUST CRG grant.

Authors

  • Qingyun Zhang

    • Physical Sciences and Engineering, King Abdullah University of Science and Technology
  • Yingchun Cheng

    • Physical Sciences and Engineering, King Abdullah University of Science and Technology
  • Li-Yong Gan

    • Physical Sciences and Engineering, King Abdullah University of Science and Technology
  • Udo Schwingenschlogl

    • Physical Sciences and Engineering, King Abdullah University of Science and Technology