In this work, the X-ray absorption spectroscopy (XAS), and emission spectra spectroscopy (XES) carried out in synchrotron radiation, were employed to evaluate the electronic structure, and bandgap energy of perovskite manganese: LaSr₂Mn₂O₇, La_1.2(Ba, Ca)_1.8Mn₂O₇ and La_0.95Ba_0.05MnO₃ single crystals. Atomic multiple calculations also have been utilized to assess the Jahn-Teller distortion and extracting quantitative details on the ligand metal charge transfer (LMCT). We find that Mn ions possess mixed oxidation states Mn³⁺/Mn⁴⁺ as dominated ground configurations with a small fraction of Mn²⁺. The trivalent Mn³⁺ (Mn₂O₃) exist with high spin (HS) 2p3d⁴ (e _g³ t_2 g¹). The band edge positions and bandgap energy are remarkably influenced by Alkaline (Ba/Ca) dopant ions as well as by temperature, where, the low temperature causes the bandgap to be significantly narrowing and that has been stated and discussed.

在这项工作中，采用X射线吸收光谱（XAS）和发射光谱（XES）在同步加速器辐射中进行了评估，以评估钙钛矿锰的电子结构和带隙能：LaSr ₂ Mn ₂ O ₇，La _1.2（Ba，Ca）_1.8 Mn ₂ O ₇和La _0.95 Ba _0.05 MnO ₃单晶。原子多次计算也已用于评估Jahn-Teller畸变并提取有关配体金属电荷转移（LMCT）的定量细节。我们发现Mn离子具有混合氧化态Mn ³⁺ / Mn ⁴⁺作为具有少量Mn ^2+的主要接地构型。三价Mn ³⁺（Mn ₂ O ₃）以高自旋（HS）2p3d ⁴（例如 _g ³ t _{2 g} ¹）存在。碱（Ba / Ca）掺杂离子以及温度会显着影响能带边缘位置和带隙能量，在这种情况下，低温会导致能带隙明显变窄，这已在本文中进行了讨论。