Ferroelectric Origin and Distortion Modes in Doped BiFeO 3 by Crystallography Approach
25 Pages Posted: 8 Jan 2019
Date Written: January 4, 2019
Abstract
There are conflicts about the ferroelectric origin and the relationship of two distortion modes, namely, the ferroelectric (FE) mode and antiferrodistortive (AFD) mode. Here the two distortion modes and enhanced ferroelectric properties (Pr=89.5 μC cm-2) are observed in BiFeO3 thin films doped with small radius Mg2+ (A-site) deposited on (111) Pt/Ti/SiO2/Si substrates by a sol-gel method, the relationship of the two distortion modes turns from cooperative to competitive as the FE mode strengthens. A new explanation of ferroelectric origin and distortion modes in doped BiFeO3 by the Defect Dipoles Driven Distortions Theory (abbreviate DDD) from crystallography is reported. Meanwhile, the crystal structure regulation mechanism of doped BiFeO3 thin films with substantially enhanced ferroelectric properties is also put forward. The distances of the positive and negative charge center in [FeO6] octahedrons evidently increase by Mg2+ doping compared with that in the Bi0.9Sm0.1Fe0.95Mn0.05O3 (BSFMO). The change of distances is contributed to the law of the atomic migration from the move of oxygen vacancies and the attraction of defect dipoles. A positive effect on ferroelectric properties of the appropriate increase in oxygen vacancies is explored, which is explained by "the probability of possible position that oxygen vacancies occurred" and "the relationship between the leakage current and the overlapping oxygen positions". The potential structure and more suitable doping ions are successfully predicted by the crystal structure regulation mechanism. In addition, it brings a new direction for the search of other structure regulation ions so as to realize the perfect ferroelectric properties for practical application, which will become an important beginning of ferroelectric materials design.
Keywords: ferroelectric origin, defect dipoles, structural distortions, crystallography, ferroelectric properties
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