A DFT-based model to the interpretation of DC conductivity in transition metals doped zinc phosphate glass

Abstract Ternary zinc–sodium–phosphate glasses doped with transition metal of the composition Na 2 M x Zn 1− P O 7 ( = 0, 1, and 5 mol %) (where Ni, Cu Co) were prepared by traditional quenching method. The ac conductivity measurements at different temperatures for have been investigated, activation energy dc conduction has determined in each sample. results showed that evolution depends on nature dopant ions. A model based formal density functional theory concept which electrical charge exchanged between transition-metal cations surrounding material surface is proposed. outcome a “simplified” formula allows us to explain ionic as function ion interaction cation surface.