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 slightly. Similarly,
increased equibiaxial compressive strain leads to a steady almost
four times increase in the shift currents at a strain of −12%
with direction change occurring at −8% strain. However, at
phase transition from semiconductor to metal, the shift currents of
the two materials completely vanish. Equibiaxial tensile strain also
leads to increased shift currents. For SnS, shift currents do not
change direction, just as the case of GeS at low strain; however,
at a strain of +8% and beyond, direction reversal of shift currents
beyond the band gap in GeS occur.