Structural and physical properties of Fe-doped LiMn$_{2}$O$_{4}$ oxides*

A joint experimental and theoretical study of the physical property and electronic structures in Fe-doped LiMn$_{2}$O$_{4}$ has been performed. The samples with pure phase are prepared by the solid reaction. The X-ray diffraction refinement and SEM analysis show that Fe enters lattice to occupy Mn site. The physical property measurements indicate that Fe doping results in modification of microstructure. The physical properties heavily depend on Fe-doping concentration. The first-principles simulations show that charge ordering and magnetic ordering occur in Fe-doped samples. The d electron increasing in the system results in carrier concentration changing.