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We provide a fundamental insight into the microscopic mechanisms of theageing processes. Using large scale molecular dynamics simulations of theprototypical ferroelectric material PbTiO3, we demonstrate that theexperimentally observed ageing phenomena can be reproduced from intrinsicinteractions of defect-dipoles related to dopant-vacancy associates, even inthe absence of extrinsic effects. We show that variation of the dopantconcentration modifies the material's hysteretic response. We identify auniversal method to reduce loss and tune the electromechanical properties ofinexpensive ceramics for efficient technologies.

Improving the Functional Control of Aged Ferroelectrics using Insights from Atomistic Modelling