Effect of epitaxial strain on the spontaneous polarization of thin film ferroelectrics

Abstract

We investigate the variation of the spontaneous ferroelectric polarization with epitaxial strain for BaTiO${}_3$, PbTiO${}_3$, LiNbO${}_3$, and BiFeO${}_3$ using first principles calculations. We find that while the strain dependence of the polarization is very strong in the simple perovskite systems BaTiO${}_3$ and PbTiO${}_3$ it is only weak in LiNbO${}_3$ and BiFeO${}_3$. We show that this different behavior can be understood purely in terms of the piezoelectric and elastic constants of the unstrained bulk material, and we discuss several factors that determine the strain behavior of a certain material.

arXiv comment5 pages, 2 figures, 3 tables

References in corpus (9)

• Physics of thin-film ferroelectric oxides
• First-principles study of spontaneous polarization in multiferroic BiFeO${}_3$
• Systematic treatment of displacements, strains and electric fields in density-functional perturbation theory
• Influence of strain and oxygen vacancies on the magnetoelectric properties of multiferroic bismuth ferrite
• Theory of polarization enhancement in epitaxial BaTiO${}_3$/SrTiO${}_3$ superlattices
• First-principles study of epitaxial strain in perovskites
• Comparison of the Electronic Structures and Energetics of Ferroelectric LiNbO3 and LiTaO3
• First-principles study of stability and vibrational properties of tetragonal PbTiO_3
• Epitaxially strained [001]-(PbTiO${}_3$)${}_1$(PbZrO${}_3$)${}_1$ superlattice and PbTiO${}_3$ from first principles

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