Enhanced Shift Currents in Monolayer 2D GeS and SnS by Strain-Induced Band Gap Engineering.

ABSTRACT: Group IV monochalcogenides exhibit spontaneous polarization and ferroelectricity, which are important in photovoltaic materials. Since strain engineering plays an important role in ferroelectricity, in the present work, the effect of equibiaxial strain on the band structure and shift currents in monolayer two-dimensional (2D) GeS and SnS has systematically been investigated using the first-principles calculations. The conduction bands of those materials are more responsive to strain than the valence bands. Increased equibiaxial compressive strain leads to a drastic reduction in the band gap and finally the occurrence of phase transition from semiconductor to metal at strains of -15 and -14% for GeS and SnS, respectively. On the other hand, tensile equibiaxial strain increases the band gap

SUBMITTER: Kaner NT 

PROVIDER: S-EPMC7376894 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature