Giant piezoelectricity of monolayer group IV monochalcogenides: SnSe, SnS, GeSe, and GeS

We predict enormous, anisotropic piezoelectric effects in intrinsic monolayer group IV monochalcogenides (MX, M=Sn or Ge, X=Se or S), including SnSe, SnS, GeSe, and GeS. Using first-principle simulations based on the modern theory of polarization, we find that their piezoelectric coefficients are about one to two orders of magnitude larger than those of other 2D materials, such as MoS[subscript 2] and GaSe, and bulk quartz and AlN which are widely used in industry. This enhancement is a result of the unique “puckered” C[subscript 2v] symmetry and electronic structure of monolayer group IV monochalcogenides. Given the achieved experimental advances in the fabrication of monolayers, their flexible character, and…

• NS
  National Science Foundation

  Awards: DMR-1207141, DMR-1455346, DMR-1120901, DMR-1410636