Electronic structure analysis of rare earth ions Ce and Nd doped gallium nitride

First principle calculations on electronic structure of Rare Earth ions Ce and Nd doped GaN are presented. Band gap narrowing, optical transitions, and hybridization of impurity states with the host are discussed. The dopants introduced 4f states in the band gap of the doped material in such a way that REGa isoelectronic traps facilitate the optical transitions in RE:GaN. The observed formation of intermediate bands and impurity levels in band gap of host material predicted it to be excellent candidate for the future solar cell generation and other optoelectronic devices.