Theoretical and experimental measurements for the (Eu_1-xSc_x)₂Zr₂O₇ Zirconate pyrochlore

The interest to study pyrochlores was the diver’s optical, electric and magnetic properties. Theoretical work was done by using density functional theory (DFT). We studied the electronic properties to see the effect of Scandium in Eu₂Zr₂O₇ for several percentage of Sc doping in the Zirconate pyrochlore and we see that we shift from half metal with an important magnetic moment to predicting semiconductor with 2.8 eV as band gap. Moreover, we observed that these doping present a significant coefficient absorption and transmission in the visible range which are around 10x10⁴ cm^-1 and 88 % respectively. To understand that we calculated the electrical properties. For the experimental results, when x = (0, 0.5 and 1) we observed by thermal analysis an interesting behavior in air. Generally gone mass and exhibits exothermic and endothermic conduct. Each thermal change, it is analysed with X-ray powder diffraction also the reagents. We detected a substitutional solid solution with complex mechanism, in air and oxygen flux. Summary, ZrO unit cell accept oxygen and exist cationic substitution in Sc and Eu ions.