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We carry out first-principles calculations for CaTiO$_3$/BaTiO$_3$ superlattices with epitaxial strain corresponding to growth on a SrTiO$_3$ substrate, and consider octahedral rotations as well as ferroelectric distortions. The…

Materials Science · Physics 2015-05-19 Xifan Wu , Karin M. Rabe , David Vanderbilt

Thin films of PbTiO3, a classical ferroelectric, have been grown under tensile strain on single-crystal substrates of DyScO3. The films, of only 5nm thickness, grow fully coherent with the substrate and show no crystallographic twin…

Materials Science · Physics 2009-11-11 G. Catalan , A. Janssens , G. Rispens , S. Csiszar , O. Seeck , G. Rijnders , D. H. A. Blank , B. Noheda

We study the effect of depolarization field related with inhomogeneous polarization distribution, strain and surface energy parameters on a domain wall profile near the surface of a ferroelectric film within the framework of…

We simulate from first-principles the energetic, structural, and electronic properties of ferroelectric domains in ultrathin capacitors made of a few unit cells of BaTiO$_3$ between two metallic SrRuO$_3$ electrodes in short circuit. The…

Materials Science · Physics 2007-10-09 Pablo Aguado-Puente , Javier Junquera

Surface and ferroelectric properties of PbTiO$_3$ thin films are investigated using an interatomic potential approach with parameters computed from first-principles calculations. We show that a model developed for the bulk describes…

Materials Science · Physics 2009-11-11 M. Sepliarsky , M. G. Stachiotti , R. L. Migoni

We study cubic ferroelectrics films that become uniaxial with a polar axis perpendicular to the film because of a misfit strain due to a substrate. The main present result is the analytical account for the elastic anisotropy as well as the…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 A. M. Bratkovsky , A. P. Levanyuk

Heterostructures consisting of PbZr0.2Ti0.8O3 and PbZr0.4Ti0.6O3 films grown on a SrTiO3 (100) substrate with a SrRuO3 bottom electrode were prepared by pulsed laser deposition. Using the additional interface provided by the ferroelectric…

Materials Science · Physics 2009-03-27 Ludwig Geske , I. B. Misirlioglu , Ionela Vrejoiu , Marin Alexe , Dietrich Hesse

Domain walls are functionally different from the domains they separate, but little is known about their mechanical properties. Using scanning probe microscopy, we have measured the mechanical response of ferroelectric 180o domain walls and…

Van der Waals heterostructures form a massive interdisciplinary research field, fueled by the rich material science opportunities presented by layer assembly of artificial solids with controlled composition, order and relative rotation of…

We investigate the strain dependence of the ferroelectric polarization and the structure of the ferroelectric domain walls in the layered perovskite-related barium fluorides, BaMF$_4$ (M=Mg, Zn). The unusual "geometric ferroelectricity" in…

Materials Science · Physics 2016-02-24 Maribel Núñez Valdez , Hendrik Th. Spanke , Nicola A. Spaldin

Flexible ferroelectrics possess significant potential for wearable electronics and bio-inspired devices, yet their electromechanical coupling mechanisms under dynamic bending remain elusive. This study employs phase-field simulations to…

Materials Science · Physics 2025-12-16 Changqing Guo , Letao Yang , Jing Wang , Houbing Huang

Ferroelectrics are characterized by domain structures as are other ferroics. At the nanoscale though, ferroelectrics may exhibit non-trivial or exotic polarization configurations under proper electrostatic and elastic conditions. These…

Materials Science · Physics 2019-11-15 Saul Estandia , Florencio Sanchez , Matthew F. Chisholm , Jaume Gazquez

Fatigue failure in ferroelectrics has been intensively investigated in the past few decades. Most of the mechanisms discussed for ferroelectric fatigue have been built on the "hypothesis of variation in charged defects", which however are…

Materials Science · Physics 2014-12-09 Qingqing Ke , Amit Kumar , Xiaojie Lou , Yuan Ping Feng , Kaiyang Zeng , Yongqing Cai , John Wang

Active control of wrinkling in soft film-substrate composites using electric fields is a critical challenge in tunable material systems. Here, we investigate the electro-mechanical instability of a soft dielectric film bonded to a…

Soft Condensed Matter · Physics 2026-04-14 Bin Wu , Linghao Kong , Weiqiu Chen , Davide Riccobelli , Michel Destrade

In conventional ferroelectric materials, polarization is an intrinsic property limited by bulk crystallographic structure and symmetry. Recently, it has been demonstrated that polar order can also be accessed using inherently non-polar van…

The recent discovery of the ferroelectric splay nematic phase has opened the door to experimental investigation of one of the most searched liquid crystal phases in decades, with high expectations for future applications. However, at this…

Soft Condensed Matter · Physics 2021-08-03 Nerea Sebastián , Richard. J. Mandle , Andrej Petelin , Alexey Eremin , Alenka Mertelj

The coexistence and coupling of ferroelasticity and magnetic ordering in a single material offers a great opportunity to realize novel devices with multiple tuning knobs. Complex oxides are a particularly promising class of materials to…

Ferroelectrics display spontaneous and switchable electrical polarization. Until recently, ferroelectricity was believed to disappear at the nanoscale; now, nano-ferroelectrics are being considered in numerous applications. This renewed…

Within the framework of the Landau-Ginzburg-Devonshire approach we explore the impact of elastic anisotropy, electrostriction, flexoelectric couplings, and mismatch strain on the domain structure morphology in ferroelectric core-shell…

Domain wall morphologies in ferroelectrics are believed to be largely shaped by electrostatic forces. Here, we show that for conducting domain walls, the morphology also depends on the details of the charge-carrier band structure. For…

Mesoscale and Nanoscale Physics · Physics 2023-12-11 B. C. Cornell , W. A. Atkinson