@article{b4b45cdea4764351a36cc8dc980d72e0,
title = "Domain patterns and super-elasticity of freestanding BiFeO3 membranes via phase-field simulations",
abstract = "Super-elasticity of functional ferroelectric oxides offers promises for integrating ferroelectric films into flexible electronics. However, super-elastic deformation is a complex phenomenon related to possibly multiple concurrent mechanisms. Fundamentally understanding how multiple mechanisms contribute to the super-elasticity of ferroelectric oxides is crucial to realizing their potential flexible electronic applications. Here, we employ phase-field simulations to model the dynamics of ferroelectric domain patterns of freestanding BiFeO3 membranes to understand the origin of their super-elasticity under substantial bending deformation (5% strain). It is demonstrated that both a reversible Rhombohedral-Tetragonal (R-T) phase transition and a nearly reversible domain evolution of BiFeO3 membranes contribute to accommodating the large deformation and thus their super-elasticity. The dynamics of domain evolution also reveal the formation of an exotic ferroelectric vortex and polarization rotation before the phase transition. We constructed a diagram of phases and domain patterns as a function of the membrane thickness and bending angle, which allows one to readily predict the emergence of T phase and ferroelectric vortex in bent BFO membranes. These results not only provide fundamental understanding of mesoscale super-elastic mechanisms but also reveal exotic domain states of ferroelectric membranes.",
author = "Peng, {Ren Ci} and Xiaoxing Cheng and Bin Peng and Ziyao Zhou and Chen, {Long Qing} and Ming Liu",
note = "Funding Information: This work was supported by the National Key R&D Program of China (grant no. 2018YFB 0407601), the Natural Science Foundation of China (grant no. 51902247 and 51902248). It was also sponsored by China Postdoctoral Science Foundation (grant no. 2019TQ0245, 2019M663694, and 2019M663693), and Natural Science Foundation of Shanxi Province (grant no. 2020JQ-059), and the Fundamental Research Funds for the Central Universities (grant no. xxj022020008). X.C. and L.-Q.C. were supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under award no. DE-SC0020145. This work was also supported by the High Performance Computing (HPC) Platform at Xi'an Jiaotong University. We also appreciate Prof. Houbing Huang from Beijing Institute of Technology and Dr. Fei Xue and Dr. Bo Wang from the Pennsylvania State University for their helpful suggestions. Funding Information: This work was supported by the National Key R&D Program of China (grant no. 2018YFB 0407601), the Natural Science Foundation of China (grant no. 51902247 and 51902248). It was also sponsored by China Postdoctoral Science Foundation (grant no. 2019TQ0245, 2019M663694, and 2019M663693), and Natural Science Foundation of Shanxi Province (grant no. 2020JQ-059), and the Fundamental Research Funds for the Central Universities (grant no. xxj022020008). X.C. and L.-Q.C. were supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under award no. DE-SC0020145. This work was also supported by the High Performance Computing (HPC) Platform at Xi'an Jiaotong University. We also appreciate Prof. Houbing Huang from Beijing Institute of Technology and Dr. Fei Xue and Dr. Bo Wang from the Pennsylvania State University for their helpful suggestions. Publisher Copyright: {\textcopyright} 2021 Acta Materialia Inc.",
year = "2021",
month = apr,
day = "15",
doi = "10.1016/j.actamat.2021.116689",
language = "English (US)",
volume = "208",
journal = "Acta Materialia",
issn = "1359-6454",
publisher = "Elsevier Limited",
}