ZnSnS₃: Structure Prediction, Ferroelectricity, and Solar Cell Applications

Figure 1

Energy bands in the monoclinic phase (space group number 4) of ZnSnS₃, plotted along high symmetry directions, along with a plot of the density of states. The bands are calculated by using the mBJ potential for exchange and correlation. The zero of energy is taken to coincide with the valence band maximum.