First-Principles Study of Ferroelectric Oxide Epitaxial Thin Films and Superlattices: Role of the Mechanical and Electrical Boundary Conditions

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.