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The importance of a high shear coefficient d15 (or d24) to the piezoelectric properties of domain-engineered and polycrystalline ferroelectrics is discussed. The extent of polarization rotation, as a mechanism of piezoelectric response, is…

Materials Science · Physics 2007-05-23 Matthew Davis , Marko Budimir , Dragan Damjanovic , Nava Setter

BiFeO3 is a model multiferroic in which the ferroelectric polarization is coupled to ferroelastic lattice distortions, yet deterministic control of its domain structure remains limited by high switching fields and competing polarization…

First-principles calculations were performed to investigate the ferroelectric properties of barium titanate and bismuth ferrite, as well as phonon dispersion of BaTiO3, using density functional theory and density functional perturbation…

Materials Science · Physics 2014-12-08 Hong-Jian Feng

Many dipolar topological structures have been experimentally demonstrated in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices, such as flux-closure, vortice, and skyrmion. In this work, we employ deep potential molecular dynamics (MD) to…

Materials Science · Physics 2025-01-07 Jiyuan Yang , Shi Liu

Using Landau-Ginzburg-Devonshire (LGD) approach we proposed the analytical description of the chemical strains influence on the spontaneous polarization and electrocaloric response in ferroelectric core-shell nanorods. We postulate that the…

Materials Science · Physics 2024-05-27 Anna N. Morozovska , Eugene A. Eliseev , Olha A. Kovalenko , Dean R. Evans

Relaxor ferroelectrics are applied in electronic devices such as actuators and sonars. Morphotrophic phase boundaries (MPBs) with monoclinic structures are known for their high piezoelectricity and electromechanical coupling factors in…

Piezoelectrics interconvert mechanical energy and electric charge and are widely used in actuators and sensors. The best performing materials are ferroelectrics at a morphotropic phase boundary (MPB), where several phases can intimately…

Nanobeam electron diffraction can probe local structural properties of complex crystalline materials including phase, orientation, tilt, strain, and polarization. Ideally, each diffraction pattern from a projected area of a few unit cells…

Polar skyrmions in ferroelectric superlattices are nanoscale topological polarization textures typically regarded as weakly coupled objects confined to individual layers, with a role secondary to that of the underlying symmetry-breaking…

Materials Science · Physics 2026-04-30 Zhiyang Wang , Fei Yang , Long-Qing Chen

Antiferroelectrics are promising materials for high energy density capacitors and the search for environmentally-friendly and efficient systems is actively pursued. An elegant strategy to create and design new (anti)ferroic system relies on…

We report on the frequency and stress dependence of the direct piezoelectric d33 coefficient in BiFeO3 ceramics. The measurements reveal considerable piezoelectric nonlinearity, i.e., dependence of d33 on the amplitude of the dynamic…

Materials Science · Physics 2015-06-11 Tadej Rojac , Andreja Bencan , Goran Drazic , Marija Kosec , Dragan Damjanovic

The role of defects in solids of mixed ionic-covalent bonds such as ferroelectric oxides is complex. Current understanding of defects on ferroelectric properties at the single-defect level remains mostly at the empirical level, and the…

Materials Science · Physics 2017-09-13 Shi Liu , R. E. Cohen

A combined experimental and computational investigation of coupling between polarization and epitaxial strain in highly polar ferroelectric PbZr_0.2Ti_0.8O_3 (PZT) thin films is reported. A comparison of the properties of relaxed…

Modeling ferroelectric materials from first principles is one of the successes of density-functional theory, and the driver of much development effort, requiring an accurate description of the electronic processes and the thermodynamic…

Materials Science · Physics 2022-10-26 Lorenzo Gigli , Max Veit , Michele Kotiuga , Giovanni Pizzi , Nicola Marzari , Michele Ceriotti

Two-dimensional (2D) ferroelectric materials like NbOI$_{2}$ have garnered significant interest, yet their temporal response and synergetic interaction with light remain underexplored. Previous studies on the polarization of oxide…

Spatial variability of polarization relaxation kinetics in relaxor ferroelectric 0.9Pb(Mg1/3Nb2/3)O3-0.1PbTiO3 is studied using time-resolved Piezoresponse Force Microscopy. Local relaxation attributed to the reorientation of polar…

Materials Science · Physics 2013-05-29 S. V. Kalinin , B. J. Rodriguez , J. D. Budai , S. Jesse , A. N. Morozovska , A. A. Bokov , Z. -G. Ye

Direct electron detectors in scanning transmission electron microscopy give unprecedented possibilities for structure analysis at the nanoscale. In electronic and quantum materials, this new capability gives access to, for example, emergent…

While many piezoelectric materials are known, there is still great potential to improve on the figures of merit of existing materials through compositional doping, forming solid solutions. Specifically, it has been shown that doping and…

Materials Science · Physics 2023-09-08 Drew Behrendt , Sayan Banerjee , Jiahao Zhang , Andrew M. Rappe

In ferroelectrics, complex interactions among various degrees of freedom enable the condensation of topologically protected polarization textures. Known as ferroelectric solitons, these particle-like structures represent a new class of…

Materials Science · Physics 2023-08-02 V. Govinden , P. R. Tong , X. Guo , Q. Zhang , S. Mantri , S. Prokhorenko , Y. Nahas , Y. Wu , L. Bellaiche , H. Tian , Z. Hong , D. Sando , V. Nagarajan

Topological polar vortices that are the electric analogues of magnetic objects, present great potential in applications of future nanoelectronics due to their nanometer size, anomalous dielectric response, and chirality. To enable the…

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