2026/01/05 by Lan-Tien Hsu, Takeshi Nishimatsu, Anna Grünebohm · 1 voice
Physics and Astronomy · #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/frmq-yh7m
arxiv published 2026/01/05 · arxiv updated 2026/05/08
Strain and domain engineering offer powerful routes to control phase and domain stability in ferroelectric thin films. While most studies have focused on (100)-oriented growth, the impact of lower-symmetry orientations remains underexplored. We address this gap in knowledge with first-principles based molecular dynamics simulation for the example of prototypical ferroelectric perovskites under (110) strain. Epitaxial (110) strains may indeed outperform the widely studied (100) orientation, as even modest strain values stabilize a diverse set of metastable nanoscale states with potential high functional tunability. In this regime, the films exhibit multidomain configurations with domain wall normal oriented along the clamped in-plane or the relaxed out-of-plane directions and heterophases in BaTiO3 and KNbO3. Besides, complex superdomain patterns and antiferroelectric-like domains are observed in PbTiO3. These metastable nanoscale configurations may allow for large reversible responses.