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

Abstract

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 1ns to 10μs, the phase transition pressure remained stable at 2.1GPa, but the phase transition time was prolonged. At −70°C the orthorhombic–cubic phase transition was induced when the loading pressure was 5GPa and the loading time was 1ns, whereas the orthorhombic–tetragonal–cubic phase transition occurred when the loading time increased to 10μs. 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.