Domain evolution and phase transition dynamics of BaTiO₃ ferroelectric single crystal under high pressure with various loading methods: Phase field simulation

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• 作者：Junjie Gao ; Hao Zhang ; ^{housezh@163.com" class="auth_mail" title="E-mail the corresponding author} ; Long Xie ; Jidong Yu ; Ganghua Wang ; Yanqin Gu ; Hongliang He ; Jingsong Bai
• 关键词：Ferroelectric ; Phase transition ; High pressure ; Phase field simulation
• 刊名：Journal of the European Ceramic Society
• 出版年：2017
• 出版时间：March 2017
• 年：2017
• 卷：37
• 期：3
• 页码：985-994
• 全文大小：9157 K

文摘

The microstructure and macroscopic properties of ferroelectric materials at high pressure are of great interest in both the engineering and scientific arenas. The effect ofthe pressure value, loading time (the time taken for the pressure to increase from atmospheric pressure to the highest pressure) and loading direction on the evolution of domains and the ferroelectric phase transition for a BaTiO₃ single crystal was investigated using a phase field approach. It was found that under symmetrical compression loading the pressure loading time affected the phase transition path and rate but did not affect the phase transition pressure or the ultimate stable phase. For example, at room temperature, even when the loading time increased from 1 ns to 10 μs, the phase transition pressure remained stable at 2.1 GPa, but the phase transition time was prolonged. At −70 °C the orthorhombic–cubic phase transition was induced when the loading pressure was 5 GPa and the loading time was 1 ns, whereas the orthorhombic–tetragonal–cubic phase transition occurred when the loading time increased to 10 μs. In addition, it was found that the application of symmetrical pressure tended to reduce the degree of ferroelectricity, while one-dimensional compression favored the ferroelectric phase.