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We present a first-principles study of model domain walls (DWs) in prototypic ferroelectric PbTiO3. At high temperature the DW structure is somewhat trivial, with atoms occupying high- symmetry positions. However, upon cooling the DW…

Materials Science · Physics 2014-06-24 Jacek C. Wojdel , Jorge Iniguez

Interface physics in oxide heterostructures is pivotal in material's science. Domain walls (DWs) in ferroic systems are examples of naturally occurring interfaces, where order parameter of neighboring domains is modified and emerging…

Materials Science · Physics 2015-10-08 Josep Fontcuberta , Vassil Skumryev , Vladimir Laukhin , Xavier Granados , Ekhard K. H. Salje

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…

Modulating the polarization of a beam of quantum particles is a powerful method to tailor the macroscopic properties of the ensuing energy flux as it directly influences the way in which its quantum constituents interact with other…

Materials Science · Physics 2017-10-03 Miquel Royo , Carlos Escorihuela-Sayalero , Jorge Íñiguez , Riccardo Rurali

We report the dielectric properties of improper ferroelectric h-ErMnO$_3$. From the bulk characterisation we observe a temperature and frequency range with two distinct relaxation-like features, leading to high and even 'colossal' values…

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

Domain walls (DWs) in ferroic materials, across which the order parameter abruptly changes its orientation, can host emergent properties that are absent in the bulk domains. Using a broadband ($10^6-10^{10}$ Hz) scanning impedance…

Mesoscale and Nanoscale Physics · Physics 2018-03-30 Xiaoyu Wu , Urko Petralanda , Lu Zheng , Yuan Ren , Rongwei Hu , Sang-Wook Cheong , Sergey Artyukhin , Keji Lai

Sliding ferroelectrics constructed from stacked nonpolar monolayers enable out-of-plane polarization in two dimensions with exceptional properties, including ultrafast switching speeds and fatigue-free behavior. However, the widely accepted…

Materials Science · Physics 2025-02-04 Changming Ke , Fucai Liu , Shi Liu

A new mechanism leading to a switchable polarization in a ferroelectric domain wall (DW) is proposed. A biquadratic coupling of the primary order parameter and its gradient triggers the phase transition in the DW with softening of the local…

Materials Science · Physics 2022-10-04 I. Rychetsky , W. Schranz , A. Tröster

We have investigated the atomistic structure of the 180-degree and 90-degree domain boundaries in the ferroelectric perovskite compound PbTiO3 using a first-principles ultrasoft-pseudopotential approach. For each case we have computed the…

Materials Science · Physics 2009-11-07 B. Meyer , David Vanderbilt

Antiferromagnets offer remarkable promise for future spintronics devices, where antiferromagnetic order is exploited to encode information. The control and understanding of antiferromagnetic domain walls (DWs) - the interfaces between…

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…

Interfaces at the two-dimensional limit in oxide materials exhibit a rich span of functionality that differs significantly from the bulk behavior. Among such interfaces, domain walls in ferroelectrics draw special attention because they can…

Materials Science · Physics 2020-02-19 Maya Barzilay , Yachin Ivry

The ability to switch between distinct states of polarization comprises the defining property of ferroelectrics. However, the microscopic mechanism responsible for switching is not well understood and theoretical estimates based on coherent…

Materials Science · Physics 2022-11-08 Urko Petralanda , Thomas Olsen

Ferroelectric domain walls represent multifunctional 2D-elements with great potential for novel device paradigms at the nanoscale. Improper ferroelectrics display particularly promising types of domain walls, which, due to their unique…

Domain walls are the topological defects that mediate polarization reversal in ferroelectrics, and they may exhibit quite different geometric and electronic structures compared to the bulk. Therefore, a detailed atomic-scale understanding…

Materials Science · Physics 2017-01-12 Meng Ye , David Vanderbilt

Ferroelectric domain wall motion is fundamental to the switching properties of ferroelectric devices and is influenced by a wide range of factors including spatial disorder within the material and thermal noise. We build a…

Materials Science · Physics 2022-08-08 Nora Bauer , Sabine M. Neumayer , Petro Maksymovych , Maxim O. Lavrentovich

Ferroelectric $\mathrm{HfO}_2$ has attracted extensive research interest for its applications in AI era. The domain walls play a crucial role in phase structure stabilization and polarization switching of ferroelectric $\mathrm{HfO}_2$,…

Materials Science · Physics 2026-03-17 Chenxi Yu , Jiajia Zhang , Xujin Song , Dijiang Sun , Shangze Li , Fei Liu , Xiaoyan Liu , Wei Xi , Jinfeng Kang

We investigate the dynamics of ferroelectric textures driven by polarization currents. We show that, ferrons, the quanta of collective polarization excitations, provide an exotic driving mechanism for domain wall (DW) dynamics, compared…

Materials Science · Physics 2026-03-12 Huanhuan Yang , Peng Yan , Gerrit E. W. Bauer

Domain-wall dynamics in ferroelectric materials are strongly position-dependent since each polar interface is locked into a unique local microstructure. This necessitates spatially resolved studies of the wall-pinning using scanning-probe…

Materials Science · Physics 2025-06-02 Kamyar Barakati , Yu Liu , Hiroshi Funakubo , Sergei V. Kalinin
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