Electronic structure of group IV ternary alloy of CSiSn

CSiSn as the ternary group IV alloy has promising applications in optoelectronic devices due to its possible direct bandgap. The proposed alloy is capable of engineering the bandgap by changing the composition of each element which also has the possibility of lattice matching to Si as the substrate. However, electronic bandstructure of these alloys is heavily dependent on the band bowing which would change the compositions needed to achieve direct bandgap. In this talk, we use the Density Functional Theory to predict the electronic band gap of binary alloys of C-Si-Sn as well as ternary alloy of CSiSn. In addition, we present how the band gap is correlated with the proportion of each element.