Geometric Control of Domain Structure Stability in Ferroelectric Nanotubes
Geometric Control of Domain Structure Stability in Ferroelectric Nanotubes
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DOI：
10.1002/aelm.202200132
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发表时间：
2022-05
影响因子：
6.2
通讯作者：
Aiden Ross;S. Zhuang;Mojue Zhang;Jiamian Hu
中科院分区：
文献类型：
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作者：
Aiden Ross;S. Zhuang;Mojue Zhang;Jiamian Hu
铁电纳米管通过调整几何结构、表面效应、晶体对称性等之间的复杂相互作用，为稳定外来极化域和实现新的或增强的功能提供了有趣的机会。本文采用相场模拟来预测（001）pcpbzr0.52 ti0.48 o3 （PZT）纳米管的室温平衡极化畴结构。模拟考虑了表面张力引起的应变的影响，这在现有的计算研究中被忽略了。研究发现（001）pcpzt纳米管可以承载一类独特的拓扑极化域结构，包括非平面磁通闭包和反磁通闭包，这是平面几何的铁电体（如薄膜、纳米点）无法达到的。结果表明，在薄壁纳米管中，表面张力引起的应变显著增强，从而导致通量闭包的明显调制。建立了纳米管壁厚和壁高的域稳定性图。研究结果为铁电纳米管的畴结构和相关功能（如压电、电热）响应的几何工程提供了基础。
Ferroelectric nanotubes offer intriguing opportunities for stabilizing exotic polarization domains and achieving new or enhanced functionalities by tailoring the complex interplay among the geometry, surface effects, crystal symmetry, and more. Here, phase‐field simulations to predict the room‐temperature equilibrium polarization domain structure in (001)pc PbZr0.52Ti0.48O3 (PZT) nanotubes are used (pseudocubic (pc)). The simulations incorporate the influence of surface‐tension‐induced strains, which have been ignored in existing computational studies. It is found that (001)pc PZT nanotubes can host a unique class of topological polarization domain structures comprising non‐planar flux‐closures and anti‐flux‐closures that are inaccessible with ferroelectrics of planar geometry (e.g., thin‐films, nanodots). It is shown that surface‐tension‐induced strain is significantly enhanced in thin‐walled nanotubes and thereby can lead to noticeable modulation of the flux closures. Domain stability map as a function of the nanotube wall thickness and height is established. The results provide a basis for geometrical engineering of domain structures and associated functional (e.g., piezoelectric, electrocaloric) responses in ferroelectric nanotubes.