An ab initio study of the electronic properties of the ferroelectric heterostructure In2Se3/Bi2Se3

Using ab initio calculations, we have investigated the electronic properties of bidimensional ferroelectric heterostructure In2Se3/Bi2Se3. Depending on direction polarization vector In2Se3 layer, found that In2Se3/Bi2Se3 can either a direct or an indirect bandgap, with values 0.67 1.00 eV obtained GW approximation. Also this material presents type II band alignment and appears to be promising system for electron-hole separation. Finally, external electric field used control not only gap but also offsets alignment, which is very certain applications in optoelectronic.