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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

We calculate from first principles the nonlinear piezoelectric response of ferroelectric PbTiO3 for the case of a polarization-enhancing electric field applied along the tetragonal axis. We focus mainly on the case of fixed in-plane lattice…

Materials Science · Physics 2011-03-03 Anindya Roy , Massimiliano Stengel , David Vanderbilt

We present in-situ transmission electron microscopy observations of domain wall motion in thin freestanding potassium niobate single-crystals. We observe that not all domains of a given polarization orientation are equally switchable in…

Materials Science · Physics 2007-05-23 A. Krishnan , M. M. J. Treacy , M. E. Bisher , P. Chandra , P. B. Littlewood

In studies using piezoresponse force microscopy, we observe a non-zero lateral piezoresponse at 180$^\circ$ domain walls in out-of-plane polarized, c-axis-oriented tetragonal ferroelectric Pb(Zr$_{0.2}$Ti$_{0.8}$)O$_3$ epitaxial thin films.…

Materials Science · Physics 2010-09-03 J. Guyonnet , H. Bea , F. Guy , S. Gariglio , S. Fusil , K. Bouzehouane , J. -M. Triscone , P. Paruch

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

We construct ferroelectric (LuFeO3)m/(LuFe2O4) superlattices with varying index m to study the effect of confinement on topological defects. We observe a thickness-dependent transition from neutral to charged domain walls and the emergence…

Ferroic materials are well known to exhibit heterogeneity in the form of domain walls. Understanding the properties of these boundaries is crucial for controlling functionality with external stimuli and for realizing their potential for…

A common strategy for reducing thermal conductivity of polycrystalline systems is to increase the number of grain boundaries. Indeed, grain boundaries enhance the probability of phonon scattering events, which has been applied to control…

SrTiO$_3$ is a superconducting semiconductor with a pairing mechanism that is not well understood. SrTiO$_3$ undergoes a ferroelastic transition at $T=$ 105 K, leading to the formation of domains with boundaries that can couple to…

Superconductivity · Physics 2020-02-28 David Pekker , C. Stephen Hellberg , Jeremy Levy

A fundamentally intriguing yet not well understood topic in the field of ferroelectrics is the collective excitation of domain walls (DWs), with potential applications to DW-based nanoelectronic and optoelectronic devices. Here we use…

Materials Science · Physics 2025-11-25 Xiangwei Guo , Jiaxuan Wu , Yujie Zhu , Aiden Ross , Bo Wang , Paul G. Evans , Long-Qing Chen , Jia-Mian Hu

We measured the complex Young's modulus of BaTiO3-d, BaxSr1-xTi3-d (BST) and Ba0.85Ca0.15Zr0.1Ti0.9O3-d (BCTZ) during heating and cooling runs at various O deficiencies and aging times. The elastic energy loss has peaks due to the jumps of…

Local conduction at domains and domains walls is investigated in BiFeO3 thin films containing mostly 71o domain walls. Measurements at room temperature reveal conduction through 71o domain walls. Conduction through domains could also be…

Materials Science · Physics 2013-05-29 S. Farokhipoor , B. Noheda

Domain pattern transfer from ferroelectric to ferromagnetic materials is a critical step for the electric field control of magnetism and has the potential to provide new schemes for low-power data storage and computing devices. Here we…

Materials Science · Physics 2023-07-06 Robbie G. Hunt , Kévin J. A. Franke , Philippa M. Shepley , Thomas A. Moore

We examine the enhancement of the interfacial superconductivity between LaAlO$_{3}$ and SrTiO$_{3}$ by an effective electric field. Through the breaking of inversion symmetry at the interface, we show that a term coupling the superfluid…

Superconductivity · Physics 2015-06-03 Jason T. Haraldsen , Peter Wölfle , Alexander V. Balatsky

We deduce the intrinsic conductivity properties of the ferroelectric domain walls around the topologically protected domain vortex cores in multiferroic YMnO3. This is achieved by performing a careful equivalent-circuit analysis of…

Strongly Correlated Electrons · Physics 2017-01-25 E. Ruff , S. Krohns , M. Lilienblum , D. Meier , M. Fiebig , P. Lunkenheimer , A. Loidl

The ideal intrinsic barriers to domain switching in c-phase PbTiO_3 (PTO), PbZrO_3 (PZO), and PbZr_{1-x}Ti_xO_3 (PZT) are investigated via first-principles computational methods. The effects of epitaxial strain on the atomic structure,…

Materials Science · Physics 2010-01-16 S. P. Beckman , Xinjie Wang , Karin M. Rabe , David Vanderbilt

The dynamics of a multiferroic domain wall in which an electric field can couple to the magnetization via inhomogeneous magnetoelectric interaction is investigated by the collective-coordinate framework. We show how the electric field is…

Materials Science · Physics 2014-04-08 Hong-Bo Chen , Ye-Hua Liu , You-Quan Li

Freestanding BaTiO3 nanodots exhibit domain structures characterized by distinct quadrants of ferroelastic 90{\deg} domains in transmission electron microscopy (TEM) observations. These differ significantly from flux-closure domain patterns…

We report first-principles calculations, within the density functional theory, on the structural and energetic properties of 180$^\circ$ stripe domains in (PbTiO$_{3}$)$_{n}$/(SrTiO$_{3}$)$_{n}$ superlattices. For the explored periodicities…

Materials Science · Physics 2012-02-27 Pablo Aguado-Puente , Javier Junquera

BaTiO$_3$ (BTO) is a prototypical perovskite ferroelectric, whose dielectric permittivity and loss spectra -- which are strongly temperature and frequency dependent -- include contributions from inhomogeneous polarization patterns, with…

Materials Science · Physics 2024-07-31 Ashok Gurung , Mohammad Fatin Ishtiyaq , S. Pamir Alpay , John Mangeri , Serge Nakhmanson
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