Local atomic order and hierarchical polar nanoregions in a classical relaxor ferroelectric
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99 GENERAL AND MISCELLANEOUS↗
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Results for “relaxor ferroelectrics”
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Active and passive defects in tetragonal tungsten bronze relaxor ferroelectrics
Tetragonal tungsten bronze (TTB) based oxides constitute a large family of dielectric materials which are known to exhibit complex distortions producing incommensurately modulated superstructures as well as significant local deviations from their average symmetry. The local deviations produce diffuse scattering in diffraction experiments. The structure as well as the charge dynamics of these materials are anticipated to be sensitive to defects, such as cation or oxygen vacancies. In this work, in an effort to understand how the structural and charge dynamical properties respond to these two types of vacancy defects, we have performed measurements of dielectric susceptibilities and single crystal diffraction experiments of two types of TTB materials with both ‘filled’ (Ba 2 NdFeNb 4 O 15 and Ba 2 PrFeNb 4 O 15 ) and ‘unfilled’ (Sr 0.5 Ba 0.5 Nb 2 O 6 ) cation sublattices. We also perform these measurements before and after oxygen annealing, which alters the oxygen vacancy concentrations. Surprisingly, we find that many of the diffuse scattering features that are present in the unfilled structure are also present in the filled structure, suggesting that the random fields and disorder that are characteristic of the unfilled structure are not responsible for many of the local structural features that are reflected in the diffuse scattering. Furthermore, oxygen annealing clearly affected both color and dielectric properties, consistent with a diminishment of the oxygen vacancy concentration, but had little effect on observed diffuse patterns.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Electric field effect on lattice dynamics of a relaxor ferroelectric PMN-30PT measured on ARCS.
The combined inelastic neutron scattering data from ARCS for poled PMN-30PT single crystal is at 300K and for unpoled crystal the data were collected at 300K and at 488K. The incident neutron energy for both poled and unpoled crystals was 25 meV . To obtain a significant four-dimensional Q-E volume, the crystal was rotated with steps of 0.5 degree in the beam. All individual angles were combined using HORACE software package (https://pace-neutrons.github.io/Horace/unstable/user_guide/Getting_started.html) to generate these sqw files. The file labeled PMN_PT_poled_new.sqw is for poled crystal and files labeled PMN_PT_300K.sqw and PMN_PT_488K.sqw are for unpoled crystal at 300K and 488K respectively.
MATERIALS SCIENCE↗
An Integrated Theoretical and Experimental Approach to Achieve Highly Polarizable Relaxor Ferroelectric Liquid Crystalline Polymers
In this project, we have designed and synthesized a series of aliphatic sulfonlyated chiral and achiral polyether. The major objective is to achieve ferroelectric liquid crystalline polymers with a high spontaneous polarization (0.04-0.08 C/m2). Due to the strong dipole-dipole interaction among the sulfonyl side groups, which resembles that among water molecules, these polyethers can exhibit various liquid crystalline self-assemblies without any rigid mesogens. By tuning the position of the sulfonyl groups, single versus double sulfonyl groups, and spacer/tail length and methyl branches, the liquid crystalline phases include smectic A, smectic C, and hexagonal columnar phases. When the single sulfonyl group is next to the main chain or disulfonyl groups are separated by a short C3 spacer, the dipolar interaction is too strong to allow any dipole switching. As a result, the linear dielectric behavior is observed with a low dielectric constant of 5-7. When the single sulfonyl groups are away from the main chain, the paraelectric behavior is obtained with a high dielectric constant around 20. From this study, we predict that by further tailoring the intermolecular interactions among the disulfonyl side groups, it is possible to achieve ferroelectric property for these liquid crystalline polymers. If successful, these ferroelectric liquid crystalline polymers can be used for efficient electrocaloric cooling applications.
36 MATERIALS SCIENCE↗
High-throughput combinatorial approach expedites the synthesis of a lead-free relaxor ferroelectric system
Developing novel lead-free ferroelectric materials is crucial for next-generation microelectronic technologies that are energy efficient and environment friendly. However, materials discovery and property optimization are typically time-consuming due to the limited throughput of traditional synthesis methods. In this work, we use a high-throughput combinatorial synthesis approach to fabricate lead-free ferroelectric superlattices and solid solutions of (Ba 0.7 Ca 0.3 )TiO 3 (BCT) and Ba(Zr 0.2 Ti 0.8 )O 3 (BZT) phases with continuous variation of composition and layer thickness. High-resolution x-ray diffraction (XRD) and analytical scanning transmission electron microscopy (STEM) demonstrate high film quality and well-controlled compositional gradients. Ferroelectric and dielectric property measurements identify the “optimal property point” achieved at the composition of 48BZT–52BCT. Displacement vector maps reveal that ferroelectric domain sizes are tunable by varying {BCT–BZT} N superlattice geometry. This high-throughput synthesis approach can be applied to many other material systems to expedite new materials discovery and properties optimization, allowing for the exploration of a large area of phase space within a single growth.
36 MATERIALS SCIENCE↗
A novel combinatorial approach to the synthesis of a lead-free ferroelectric relaxor system
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Material Science↗
High-Throughput Combinatorial Approach to the Synthesis of a Lead-Free Ferroelectric Relaxor System
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Material Science↗
High-Throughput Combinatorial Approach Expedites the Synthesis of a Lead-Free Relaxor Ferroelectric System
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Material Science↗
Ba ( Ti 1 - x , Zr x ) O 3 relaxors: Dynamic ferroelectrics in the gigahertz frequency range
Relaxor ferroelectrics are of great scientific and technological significance as they exhibit large and unusual responses to external stimuli. Their hallmark features are broadness and frequency dispersion of the peak in the temperature dependence of the dielectric constant. Both are believed to originate from the dynamics of polar nanoregions. Here, we apply first-principles-based molecular dynamics to resolve the gigahertz electric response of dynamically poled Ba (Ti 1 - x , Zr x ) O 3 ferroelectric relaxors that remained overlooked so far. We find that (i) the hallmark relaxor features continue to persist even in the dynamically poled structures, but do not necessarily originate from the polar nanoregions dynamics; (ii) dynamically poled samples exhibit polarization aging which leads to the frequency dependence of both remnant polarization and the Curie temperature; (iii) “dynamical” nature of the latter naturally explains the frequency dependence of the dielectric susceptibility maximum in dynamically poled Ba (Ti 1 - x , Zr x) O 3 ; and (iv) incorporation of the polarization aging into dielectric susceptibility expression explains its enhancing contribution in an intuitive way.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Relaxor behavior and electrothermal properties of Sn- and Nb-modified (Ba,Ca)TiO 3 Pb-free ferroelectric
Relaxor ferroelectrics have drawn attention for possible applications in solid-state cooling and thermal energy harvesting, owing to their electrothermal energy conversion properties. Here, we have synthesized and characterized the structure–property correlations of a new Sn- and Nb-doped (Ba,Ca)TiO 3 relaxor ferroelectric with large pyroelectric and electrocaloric effects over a broad temperature range. We observed two peaks for the temperature-dependent pyroelectric coefficient: (i) -(∂P/∂T) ~ 563 µC/(m 2 K) at T~ 270 K and (ii) -(∂P/∂T) ~ 1021 µC/(m 2 K) at T~ 320 K. In addition, a broad peak for electrocaloric temperature change is observed near 320 K with a relative cooling power of ~17 J/kg. These properties could be correlated to structural changes observed using X-ray diffraction at two different temperature ranges in the material. Analysis of high-energy X-ray scattering and specific heat capacity data revealed a transition from the cubic to tetragonal phase near T m ~ 320 K, whereas an additional increase in the tetragonality (c/a) of the polar phase is observed below T s ~ 270 K.
36 MATERIALS SCIENCE↗
Electric Field Control of Phonon Lifetimes and Thermal Conductivity in Relaxor-Based Ferroelectric
The demand for high energy efficiency drives intense interest in thermal-management technology. Phonons are a major contributor to heat transfer in solids and controlling them through external stimuli is a key challenge for thermal management due to their weak interactions with applied fields. We report significant changes in phonon transport with the application of an electric field over a broad temperature range in a relaxor-based ferroelectric using neutron-scattering and -transport measurements. Phonon lifetimes increase along the applied poling field and this results in a tripling of the thermal conductivity in that direction. We also observe a suppression of nanoscale antiferroelectric fluctuations along the poling direction and argue that this increases the phonon lifetimes. Our results highlight a promising yet underexplored route to realistic solid-state heat switching from electric-field-modified nanostructures altering the phonon lifetimes in disordered functional materials.
Phonons↗
Relaxor Ferroelectric-Like Spatiotemporal Memory in Field-Driven Lipid Bilayers
Lipid membranes are often regarded as passive barriers, yet their nonlinear dielectric response remains poorly understood. Using all-atom molecular dynamics, we show that fully hydrated dipalmitoylphosphatidylcholine bilayers exhibit relaxor ferroelectric-like behavior under time-dependent electric fields. Unlike crystalline relaxors, which are bipolar and display little remanent polarization, lipid bilayers exhibit a unipolar polarization response: even an alternating current field produces persistent, asymmetric polarization. Furthermore, the underlying free-energy landscape contains two distinct minima, a nonpolarized state and a unipolarly polarized state, between which stochastic thermally activated transitions occur. Directionally resolved Van Hove analysis reveals pronounced anisotropy arising from out-of-plane electric dipole alignment, interleaflet coupling, and lateral polarization domains. Each field cycle nucleates polarization at distinct sites and monitors their relaxation, marking a crossover from thermal fluctuations to field-sustained polarization. Remarkably, these polarized domains persist after field removal, generating long-lived, spatially coherent dipolar patterns that encode nanoscale polarization memory. Potassium chloride amplifies these effects via dielectric screening and a modified hydration structure, enhancing electric dipole flexibility and cooperativity. Together, these results establish protein-free bilayers as nonlinear, history-dependent dielectrics capable of sustaining field-tunable electromechanical coupling, providing an emergent physical foundation for nanoscale information storage and memory phenomena reminiscent of short- and long-term plasticity in soft neuromorphic systems.
Insulators↗
Finite-size effects in lead scandium tantalate relaxor thin films
Large electromechanical effects in relaxor ferroelectrics are generally attributed to the collective response of an ensemble of correlated, nanometer-sized polar structures induced by chemical and charge disorder. Here, we study finite-size effects on such polar order (i.e., how it evolves when sample dimensions approach the polarization correlation length) in 7–70-nm-thick films of the relaxor ferroelectric PbSc 0.5 Ta 0.5 O 3 . Temperature-dependent polarization studies reveal a linear suppression of the polarization and nonlinearity associated with relaxor order as the film thickness decreases to ≈ 30 nm. Below this thickness, however, the suppression rapidly accelerates, and polarization is completely absent by film thicknesses of ≈ 7 nm, despite the continued observation of a broad peak in dielectric permittivity and frequency dispersion. Diffuse-scattering measurements reveal the diffuse-scattering symmetry, and analysis suggests the films have a polarization correlation length of ≈ 23 nm. Finally, taken together, it is apparent that reduction of sample size and the resulting distribution of polar structures drive suppression and eventual quenching of the electrical response of relaxors, which may be attributed to increasing dipole-dipole and dipole-interface interactions.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Photocarrier-induced persistent structural polarization in soft-lattice lead halide perovskites
The success of the lead halide perovskites in diverse optoelectronics has motivated considerable interest in their fundamental photocarrier dynamics. Here, in this work, we report the discovery of photocarrier-induced persistent structural polarization and local ferroelectricity in lead halide perovskites. Photoconductance studies of thin-film single-crystal CsPbBr 3 at 10 K reveal long-lasting persistent photoconductance with an ultralong photocarrier lifetime beyond 10 6 s. X-ray diffraction studies reveal that photocarrier-induced structural polarization is present up to a critical freezing temperature. Photocapacitance studies at cryogenic temperatures further demonstrate a systematic local phase transition from linear dielectric to paraelectric and relaxor ferroelectric under increasing illumination. Our theoretical investigations highlight the critical role of photocarrier–phonon coupling and large polaron formation in driving the local relaxor ferroelectric phase transition. Our findings show that this photocarrier-induced persistent structural polarization enables the formation of ferroelectric nanodomains at low temperature, which suppress carrier recombination and offer the possibility of exploring intriguing carrier–phonon interplay and the rich polaron photophysics.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Microscopic piezoelectric behavior of clamped and membrane (001) PMN-30PT thin films
Bulk single-crystal relaxor-ferroelectrics, like Pb(Mg 1/3 Nb 2/3 )O- 3 -PbTiO 3 (PMN-PT), are widely known for their large piezoelectricity. This is attributed to polarization rotation, which is facilitated by the presence of various crystal symmetries for compositions near a morphotropic phase boundary. Relaxor-ferroelectric thin films, which are necessary for low-voltage applications, suffer a reduction in their piezoelectric response due to clamping by the passive substrate. To understand the microscopic behavior of this adverse phenomenon, we employ the AC electric field driven in-operando synchrotron x-ray diffraction on patterned device structures to investigate the piezoelectric domain behavior under an electric field for both a clamped (001) PMN-PT thin film on Si and a (001) PMN-PT membrane released from its substrate. In the clamped film, the substrate inhibits the field-induced rhombohedral (R) to tetragonal (T) phase transition resulting in a reversible R to Monoclinic (M) transition with a reduced longitudinal piezoelectric coefficient d 33 < 100 pm/V. Releasing the film from the substrate results in recovery of the R to T transition and results in a d 33 > 1000 pm/V. Here, using diffraction with spatial mapping, we find that lateral constraints imposed by the boundary between the active and inactive materials also inhibit the R to T transition. Phase-field calculations on both clamped and released PMN-PT thin films simulate our experimental findings. Resolving the suppression of thin film piezoelectric response is critical to their application in piezo-driven technologies.
36 MATERIALS SCIENCE↗
High-Performance Electrostrictive Relaxors with Dispersive Endotaxial Nanoprecipitations
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Liu, Ye↗
Fluorine-free strongly dipolar polymers exhibit tunable ferroelectricity
Current research on ferroelectric polymers centers predominantly on poly(vinylidene fluoride) (PVDF)–based fluoropolymers because of their superior performance. However, they are considered “forever chemicals” with environmental concerns. Here, we describe a family of rationally designed fluorine-free ferroelectric polymers, featuring a polyoxypropylene main chain and disulfonyl alkyl side chains with a C3 spacer: −SO 2 CH 2 CHRCH 2 SO 2 − (R = −H or −CH 3 ). Both experimental and simulation results demonstrate that strong dipole-dipole interactions between neighboring disulfonyl groups induce ferroelectric ordering in the condensed state, which can be tailored by changing the R group: ferroelectric for R = −H or relaxor ferroelectric for R = −CH 3 . At low electric fields, the relaxor polymer exhibits electroactuation and electrocaloric performance comparable with those of state-of-the-art PVDF-based tetrapolymers.
36 MATERIALS SCIENCE↗
Origins of Electrostriction in Poly(vinylidene fluoride)-Based Ferroelectric Polymers
Although electrostriction is ubiquitous for dielectric polymers, giant electrostriction has not been observed until relaxor ferroelectric (RFE) poly(vinylidene fluoride) (PVDF)-based polymers are achieved. However, the exact origin for giant electrostriction in these polymers has not been fully understood. By studying the electrostriction in the uniaxially stretched films of a ferroelectric poly(VDF-co-trifluoroethylene) [P(VDF-TrFE)] random copolymer and an RFE poly(VDF-co-TrFE-co-chlorotrifluoroethylene) [P(VDF-TrFE-CTFE)] random terpolymer in this work, we confirmed that ferroelectric switching with large hysteresis, such as in the case of P(VDF-TrFE), was not genuine electrostriction. By decreasing large ferroelectric domains to the nanometer scale (i.e., 2–3 nm), such as in the case of the P(VDF-TrFE-CTFE) terpolymer, electrostriction with low hysteresis could be achieved. Here, two origins of the large electrostriction in these polymers were identified. The first was the mechano-electrostriction due to the poling field-induced conformation transformation of oriented polymer chains. The second was the electric repulsion of electrically aligned nanodomains. These effects could occur in both crystals and the oriented amorphous fraction, which links between the nanocrystals and the isotropic amorphous fraction. When the poling field was relatively low (e.g., <40 MV/m), the mechano-electrostriction was the major contribution and the electric repulsion effect was a minor contribution to electrostriction. Meanwhile, a strong temperature dependence of the low-field electrostriction coefficient was observed. Finally, we found an empirical inverse relationship between the electrostriction coefficient and the product of Young’s modulus and dielectric constant. The knowledge obtained from this study provides an insightful understanding of the electrostriction mechanism in PVDF-based electroactive polymers, which will find potential applications in sensors and actuators for wearable electronics and soft robotics.
36 MATERIALS SCIENCE↗