First-principles study of ferroelectric oxide epitaxial thin films and superlattices: role of the mechanical and electrical boundary conditions

TL;DR

This review summarizes recent first-principles research on ferroelectric oxide thin films and superlattices, emphasizing the influence of mechanical and electrical boundary conditions on their properties.

Contribution

It provides a comprehensive overview of how boundary conditions affect ferroelectric nanostructures and discusses future research directions in the field.

Findings

Mechanical boundary conditions significantly influence ferroelectric properties.

Electrical boundary conditions can stabilize or destabilize ferroelectric phases.

The review highlights emerging challenges and opportunities in the study of ferroelectric nanostructures.

Abstract

In this review, we propose a summary of the most recent advances in the first-principles study of ferroelectric oxide epitaxial thin films and multilayers. We discuss in detail the key roles of mechanical and electrical boundary conditions, providing to the reader the basic background for a simple and intuitive understanding of the evolution of the ferroelectric properties in many nanostructures. Going further we also highlight promising new avenues and future challenges within this exciting field or researches.