Depolarization in modeling nano-scale ferroelectrics using the Landau free energy functional
Source abstract
Abstract
We derived thermodynamically from first principles the free energy functional of a ferroelectric under an applied field E that contains the depolarization field Ed. We found that it is crucial to recognize the relationship between the total polarization and the applied field due to the depolarization field when expressing the free energy functional in the Landau form. Ad hoc formulations of ferroelectric models that overlooked this relationship effectively double-count the depolarization field, and thus cause serious overestimation of its effects. Examples are given in which the Curie temperature and the critical thickness of ferroelectricity, etc., can be overestimated this way by orders of magnitude.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Ferroelectric and Piezoelectric Materials · Acoustic Wave Resonator Technologies · Multiferroics and related materials
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