Electronic and magnetic properties of (Bi0.5Na0.5)(Mn0.5Nb0.5)O3

(Bi0.5Na0.5)(Mn0.5Nb0.5)O3 has been sintered by hot-sintering method at ambient air. Composition has been checked with use of a scanning microscope. Magnetic behavior of (Bi0.5Na0.5)(Mn0.5Nb0.5)O3 has been investigated by DC magnetization and AC susceptibility techniques. (Bi0.5Na0.5)(Mn0.5Nb0.5)O3 exhibits a magnetic phase transition at 6.8 K. Below this temperature, the interaction between magnetic moments is antiferromagnetic. The resultant non-zero magnetic moment emerges because of weak precipitation of manganese oxide with ordering temperature at T ≈ 40 K. From the fit of the Curie–Weiss law to the AC susceptibility, the Weiss temperature θ = –2.3 K has been determined and Curie constant C = 1.15 emu K/molMn, close to the value expected for spin S = 2 of Mn3+, has been estimated. The antiferromagnetic state with spin-glass type features has been deduced. Crystal structures and partial density of states (DOS) have been simulated by ab initio method. DOS simulations showed half-metal electronic struct...