Abstract Effect of Ca – doping on electronic structure and ferroelectric properties have been studied on PLD grown Bi1-xCaxFeO3/SNTO (x = 0.05, 0.10, 0.20) films. The structural study confirms single crystalline (100) oriented epitaxial growth of the films. The observed improvement in the ferroelectric behavior with an increase in Ca – doping has been attributed to the strong hybridization between Fe3d–O2p and localization of Fe3deg and Bi6s-O2p orbitals understood using X-ray Absorption Spectroscopy measurements. Ferroelectric measurements performed on BCFO films show the finite value of intrinsic ferroelectric polarization, though the contributions from the non – ferroelectric components lead to unsaturated and leaky loop. The sub-bandgap transition observed in the absorption spectra indicates the presence of oxygen vacancy states which is one of the reasons for observed leakage in polarization measurements.

中文翻译：

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Ca掺杂BiFeO3薄膜的电子结构与铁电行为的相关性

摘要 在 PLD 生长的 Bi1-xCaxFeO3/SNTO (x = 0.05, 0.10, 0.20) 薄膜上研究了 Ca 掺杂对电子结构和铁电性能的影响。结构研究证实了薄膜的单晶 (100) 取向外延生长。随着 Ca 掺杂的增加，观察到的铁电行为的改善归因于 Fe3d-O2p 与 Fe3deg 和 Bi6s-O2p 轨道定位之间的强杂化，使用 X 射线吸收光谱测量可以理解。在 BCFO 薄膜上进行的铁电测量显示了固有铁电极化的有限值，尽管来自非铁电元件的贡献会导致不饱和和泄漏回路。