Strain engineering of lateral heterostructures based on group-V enes (As, Sb, Bi) for infrared optoelectronic applications calculated by first principles

In this work, the electronic structure, and optical properties of As/Sb and Sb/Bi lateral heterostructures (LHS) along armchair and zigzag interfaces affected by strain were investigated by density functional theory. The LHSs presented strain-dependent band transformation characteristics and sensitivity features. And a reduction and transition of the bandgap was observed when the As/Sb and Sb/Bi LHS existed under compressive strain. The density of states and the conduction band minimum-valence band maximum characteristics exhibited corresponding changes under the strain. Then a spatial charge-separation phenomenon and strong optical absorption properties in the mid-infrared range can also be observed from calculated results. Theoretical research into As/Sb and Sb/Bi LHSs has laid a solid foundation for As/Sb and Sb/Bi LHS device manufacture.