Theory of ferroelectrics: A vision for the next decade and beyond

TL;DR

This paper reviews recent advances in the understanding and computational prediction of ferroelectric and piezoelectric materials, highlighting new techniques, insights into polarization, and future research prospects.

Contribution

It provides a comprehensive overview of recent progress in computational methods and theoretical understanding of ferroelectrics, outlining future directions.

Findings

Enhanced computational ability to predict properties

Development of new techniques for understanding polarization

Insights into defect and surface effects

Abstract

In the last ten years significant advances have been made in our understanding and ability to compute and predict properties of ferroelectrics and piezoelectrics using fundamental physics. Phase diagrams, electromechanical and elastic properties, and effects of defects and surfaces are now amenable to computation. Most importantly, new techniques have been developed, and new understanding of the meaning of polarization in dielectrics has been developed. Prospects for the future are discussed.