X-ray absorption spectroscopy (XAS) and optical absorption spectroscopy (OAS) measurements have been performed on polycrystalline samples of PrFeO_3+δ sintered at different temperatures. XAS measurements carried out at Fe K-edge confirms the increase in the concentration of Fe⁴⁺ ions in PrFeO_3+δ with sintering temperature (T_S). The optical band gap (E_g) of these samples appears to be correlated with that of the bandwidth (d_BW-Fe-3d) of the “Fe-3d” orbital. The values of d_BW-Fe-3d have been estimated from XAS data collected at Fe L₃-edge. The increase in the d_BW-Fe-3d is attributed to be due to the splitting of Fe-3d (t_2g)_III and Fe-3d (e_g)_II states due to the presence of Fe⁴⁺ Jahn-Teller ions. The OAS spectral analysis suggests that the band gap decreases systematically with T_S. The relative intensity of d-d transition has been found to scale with the concentration of Fe⁴⁺ ions and the width of the said d-d transition seems to be correlated with d_BW-Fe-3d. Using the estimated values of ‘E_g’ and d-bandwidth, the value of charge transfer parameter ‘Δ’ has been estimated. The obtained value of Δ is used to simulate the band gap of PrFeO₃ using density functional theoretical analysis. Thus, using the combination of x-ray absorption and optical spectroscopies we have demonstrated the new way to investigate and analyse the electronic structure of strongly correlated electron systems.

已经对在不同温度下烧结的PrFeO _{3 +δ的}多晶样品进行了X射线吸收光谱（XAS）和光学吸收光谱（OAS）测量。XAS测量在的Fe K-边缘确认在Fe的浓度下进行的增加⁴⁺离子PrFeO _{3 +δ}与烧结温度（T_小号）。这些样品的光学带隙（E _g）似乎与“ Fe-3 d ”轨道的带宽（d _BW-Fe-3d）的带宽相关。d _BW-Fe-3d的值是根据在Fe L ₃ -edge收集的XAS数据估算的。d _{BW-Fe-3d的增加}归因于由于存在Fe ⁴⁺ Jahn-Teller离子，Fe-3 d（t _2g）_III和Fe-3 d（e _g）_II状态分裂。OAS光谱分析表明，带隙随着T _S的增大而系统地减小。已经发现dd跃迁的相对强度与Fe ⁴⁺离子的浓度成比例，并且所述dd跃迁的宽度似乎与d _{BW-Fe-3d相关}。使用'E _g '和d的估计值-带宽，已经估计了电荷转移参数“Δ”的值。利用密度泛函理论分析，将所获得的Δ值用于模拟PrFeO ₃的带隙。因此，结合使用X射线吸收和光谱学，我们证明了研究和分析强相关电子系统电子结构的新方法。