A phase field model combined with a kinetic Monte Carlo method has been used to describe the formation of domain structures in a ferroelectric system with rotatable defect dipoles. Our simulation shows that domain configurations are strongly dependent on the evolution of defect dipoles at different poling times. A smaller domain size with a larger piezoelectric coefficient can be obtained by optimizing the poling time, while long time poling will produce larger domains that could degrade piezoelectric effects. Our modeling results demonstrated the fundamental principle for enhancing the piezoelectric response by combining domain engineering with defect engineering through the control of the poling strategy.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy (miscellaneous)