This study highlights significant effects of processing atmosphere ratio (O₂/N₂) on microstructure, impurity phases, atomic hybridization, band gap, and photovoltaic properties in (Bi_0.93Nd_0.07)FeO₃ (BFO7Nd) ceramics. A Rietveld-refinement analysis indicates increased oxygen and bismuth vacancies in the specimens processed in the O₂-rich atmosphere (hereafter called O₂-rich-atmosphere specimens). In the matrix containing mainly Fe³⁺ ions, Fe⁴⁺ cations were identified with O₂ concentration decreasing in the atmosphere by Fe K/L-edges synchrotron X-ray absorption. Oxygen K-edge absorption reveals reduced hybridizations of the O 2p–Fe 3d and the O 2p–Bi 6sp orbitals in the O₂-rich-atmosphere specimens. Photovoltaic effects in the ITO/BFO7Nd/Au heterostructures under near-ultraviolet irradiation (λ = 405 nm) exhibit strong dependences on O₂/N₂ ratio. A p-n-junction model was used to describe open-circuit voltage and short-circuit current density as functions of irradiation intensity. The calculated carrier densities (in BFO7Nd ceramics) and p-n-junction widths (in the dark) are ∼10²³ m⁻³ and a few hundred nanometers, respectively.

这项研究强调了加工气氛比（O ₂ / N ₂）对（Bi _0.93 Nd _0.07）FeO ₃（BFO7Nd）陶瓷的微观结构，杂质相，原子杂化，带隙和光伏性质的重大影响。甲里特沃尔德细化分析表明增加的氧，并且在将O处理的标本铋空缺₂富气氛（以下称为ö ₂富气氛样品）。在主要包含Fe ³⁺离子的基质中，用O ₂鉴定出Fe ⁴⁺阳离子Fe K / L边沿同步加速器X射线吸收降低了大气中的浓度。氧K边缘吸收揭示减少O 2的杂交p -Fe 3 d和O 2 p -Bi 6 SP轨道于O ₂富气氛标本。ITO / BFO7Nd / Au异质结构在近紫外光照射下（λ= 405 nm）的光伏效应表现出对O ₂ / N ₂比的强烈依赖性。使用p - n结模型来描述开路电压和短路电流密度与辐照强度的关系。所计算出的载流子密度（在BFO7Nd陶瓷）和p -n结的宽度（在黑暗中）分别为〜10 ²³  m ^-3和几百纳米。