Influence of doped rare earth elements on electronic properties of the R0.25Ca0.75MnO3 systems

Abstract The influence of doped rare earth elements on the some electronic properties of perovskite systems R 0.25 Ca 0.75 MnO 3 (R = La, Nd, Eu, Tb, Ho, Y) is investigated using the density functional theory with Dmol3 code. The density of states, band structure, tolerance factor and Jahn–Teller splitting energy were calculated. By doping the different rare earth elements, the systems show different changing in the crystal structure, hopping amplitude, and electrical resistivity. Among these doping compounds, the Eu 0.25 Ca 0.75 MnO 3 exhibits the strongest structural change corresponding to the largest Jahn–Teller splitting.