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纳米铁电材料极化旋涡畴的演化研究（英文）

纳米铁电材料极化旋涡畴的演化研究（英文）

引用

2018年全国固体力学学术会议

作者：田晓宝范海冬何小桥吕坚四川大学力学系香港城市大学建筑与土木工程系香港城市大学先进材料研究中心

A modified first-principles-based atomistic method incorporating the anisotropic shell model is developed for the simulation of the vortex type polarization in polycrystalline ferroelectric. Based on the modified model, a series of distinct vortex and anti-vortex polarization configurations are obtained at atomic scale simulation in which the anti-vortex polarization configuration in polycrystalline ferroelectric has never been reported in the open literature. In this study, a standard definition is given to the polarized anti-vortex in mathematics and polarization topology. The accurate distribution has been obtained from the simulation and validated by analogy of the vortex field using the Landau-Ginzburg-Devonshire theory. The properties of the anti-vortex are studied to establish the relationship among the polarization value of the vector, the radius and the streamlines curvature of the anti-vortex. Based on the polarization mechanism, a method is proposed for experimenters to observe clearly and position accurately the polarization anti-vortex and vortex, which could combine as novel domain structure. Domain wall(DW) plays an important role in the domain evolution. The anti-vortex could be a special domain structure of the mixed DWs, i.e. the Ising wall and the Mixed Ising-Neel wall. Results show that the nucleation and the disappearance of the anti-vortex happen at grain boundaries(GBs) under sinusoidal electric fields loading. As the anti-vortex motion by the electric field, it is a perfect view point for the domain evolutions. It has been found that the anti-vortex core can’t pass through the GBs because of the size and disorder field. This phenomenon indicated that anti-vortex is only been obtained in grains at polycrystalline ferroelectric, and the electric field range must between-6.3 and 6.3×10 V/m.

关键词： polycrystalline ferroelectric vortex polarization domain wall anti-vortex grain boundaries

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