Electronic structure of the ZnTe/CdSe(100) interfaces with atom interchange

By using the combination of the first-nearest neighbor tight-binding model sp3s* and Green function method in the frame of the scattering theory, we studied the electronic structure of ZnTe/CdSe(100) heterojunction with cation layers interchange across ZnSe-like or CdTe-like interface, and presented the interface band structures and wavevector-resolved interface layer densities of states. By comparing with the electronic states of ideal interfaces, we analyzed the nature and origins of all interface states, and discussed the influence of atom layers interchange on interface electronic structure.