论文标题
弯曲的自由主义batio3超薄膜中的域演化:相位模拟
Domain evolution in bended freestanding BaTiO3 ultrathin films: a phase-field simulation
论文作者
论文摘要
钙钛矿铁电氧化物通常被认为是脆性材料,但是最近的工作[Dong等,Science 366,475(2019)]表明了独立的Batio3薄膜中的超弹性。该特性可能起源于弯曲过程中的铁电域的演化,这在实验中很难观察到。因此,了解弯曲变形,膜的厚度和域动力学之间的关系对于它们在柔性铁电器中的潜在应用至关重要。在这里,我们报道了在使用相视野模拟的大型弯曲变形的情况下,在较大的弯曲变形的情况下,在独立式BATIO3超薄膜中的铁电偏振的动力学。铁电域的演化揭示了从通量偏置到具有“涡旋样”结构的A/C结构域的过渡,该结构是由非平面外铁电化极化的增加引起的。此外,通过在相同的弯曲情况下改变膜厚度,我们发现A/C相具有“涡旋状”结构的A/C相,仅当膜厚度达到12 nm或更高时才出现。我们研究的结果为弯曲铁电钙岩氧化物膜的微观结构演变提供了启发性信息,该膜可以作为将铁电膜在柔性电子设备上应用于未来的指南。
Perovskite ferroelectric oxides are usually considered to be brittle materials, however, recent work [Dong et al., Science 366, 475 (2019)] demonstrated the super-elasticity in the freestanding BaTiO3 thin films. This property may originate from the ferroelectric domain evolution during the bending, which is difficult to observe in experiments. Therefore, understanding the relation among the bending deformation, thickness of the films, and the domain dynamics is critical for their potential applications in flexible ferroelectric devices. Here, we reported the dynamics of ferroelectric polarization in the freestanding BaTiO3 ultrathin films in the presence of large bending deformation up to 40° using phase-field simulation. The ferroelectric domain evolution reveals the transition from the flux-closure to a/c domains with "vortex-like" structures, which caused by the increase of out-of-plane ferroelectric polarization. Additionally, by varying the film thickness in the identical bending situation, we found the a/c phase with "vortex-like" structure emerges only as the film thickness reached 12 nm or higher. Results from our investigations provide instructive information for the microstructure evolution of bending ferroelectric perovskite oxide films, which could serve as guide for the future application of ferroelectric films on flexible electronic devices.