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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Synthesis and Characterization of a New Ferroelectric with Low Lead Content, a High Curie Temperature, and a High Piezoelectric Response

Abstract A new solid solution (1− x )Bi(Fe 2/8 Ti 3/8 Mg 3/8 )O 3 –( x )PbTiO 3 (BFTM‐PT) is synthesized and the electromechanical properties are measured. This system is defined as a low‐lead material with ferroelectric/piezoelectric behavior and a morphotropic phase boundary (MPB) that leads to enhanced properties. The MPB is located between x = 0.30 and 0.35 and coincides with a structural phase transition and a sharp increase in the piezoelectric response. The system demonstrates ferroelectric hysteresis where x = 0.325 displays the best properties with a maximum polarization of 39 µC cm −2 and a remnant polarization of 26 µC cm −2 . The range of compositions has high Curie temperature ( T c ), ranging from 625–650 °C. Materials with a T c above 400 °C typically have a low d 33 of <50 pC N −1 at room temperature. However, BFTM‐PT has a higher d 33 that most other compositions with a T c in this range, with the highest being 145 pC N −1 for x = 0.375. The d 33 drops off above 100 °C, but doping studies can be done in the future to stabilize the piezoelectric response at higher temperatures. These outstanding properties open the possibility of new transducer applications, in particular ones requiring high temperature and high power.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Effect of aRandom Transverse Field on the Ferroelectric Properties of aNanowire with Core/Shell Morphology (FN(C/S)M)

In this paper, we have used the effective field theory (EFT) based on the probability distribution method (PDM) to study the hysteresis behavior of a ferroelectric nanowire with core/shell morphology (FN(C/S)M) in a random electric field (REF). This system is studied by using the transverse Ising model (TIM). We have studied the effects of the temperature, the random transverse field (RTF), the surface shell coupling, and the concentration on the hysteresis loops, the coercive field, and the remanent polarization of the nanowire. A number of characteristic behaviors have been found, such as the existence of the relaxor character for appropriate values of the system parameters. The remanent polarization and the coercive field, as a function of the temperature, are examined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

On the Intensity of Radiation of an Electromagnetic Field by a Rotating Ferroelectric Sphere

It is shown that in the case when the spontaneous polarization vector P{sub 0} and the rotational frequency vector ω of a ferroelectric sphere do not coincide, electromagnetic waves will be radiated. The intensity of the radiation is calculated as a function of the coordinates and time, and the anisotropy of this radiation is proven. The distribution of the intensity of radiation is graphically illustrated in the form of a function of the central distance r.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Hierarchically-structured large superelastic deformation in ferroelastic-ferroelectrics

Large superelastic deformation in ferroelastic-ferroelectrics (FMs) is a complex phenomenon involving multiple mechanisms operating simultaneously. Understanding how these mechanisms contribute corporately is critical to apply this useful property to the intrinsically brittle FMs, which can therefore display both excellent functional and mechanical performance. Here, we have directly observed and quantitatively analyzed in situ in a transmission electron microscope the three main mechanisms of twinning domain, phase transformation and mobile point defect contributing to extremely large superelastic deformation in single-crystal BaTiO 3 (5.0% strain) and Pb(Mg 1/3 Nb 2/3 )O 3 -PbTiO 3 (10.1% strain). Finally, our results reveal the hierarchical origin of large recoverable strain in “brittle” FMs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A combined theoretical and experimental study of the phase coexistence and morphotropic boundaries in ferroelectric-antiferroelectric-antiferrodistortive multiferroics

The physical nature of the ferroelectric (FE), ferrielectric (FEI) and antiferroelectric (AFE) phases, their coexistence and spatial distributions underpins the functionality of antiferrodistortive (AFD) multiferroics in the vicinity of morphotropic phase transitions. In this work, using Landau-Ginzburg-Devonshire (LGD) phenomenology and a semi-microscopic four sublattice model (FSM), we explore the behavior of different AFE, FEI, and FE long-range orderings and their coexistence at the morphotropic phase boundaries in FE-AFE-AFD multiferroics. These theoretical predictions are compared with the experimental observations for dense Bi 1-y R y FeO 3 ceramics, where R is Sm or La atoms with the fraction 0 ≤ y ≤ 0.25, as confirmed by the X-ray diffraction (XRD) and Piezoresponse Force Microscopy (PFM). These complementary measurements were used to study the macroscopic and nanoscopic transformation of the crystal structure with doping. The comparison of the measured and calculated AFE/FE phase fractions demonstrate that the LGD-FSM approach well describes the experimental results obtained by XRD and PFM for Bi 1-y R y FeO 3 . Hence, this combined theoretical and experimental approach provides further insight into the origin of the morphotropic boundaries and coexisting FE and AFE states in model rare-earth doped multiferroics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Switching kinetics in ferroelectric zinc magnesium oxide thin films

The switching kinetics of RF-magnetron reactively sputtered ~200 nm thick Zn 1-x Mg x O (ZMO) ferroelectric thin films with x = 0.41 and x = 0.27 prepared on Pt/Ti/SiO 2 /Si substrates were studied at applied fields near the coercive fields, ranging from 3.4 to 5.1 MV cm -1 , and at temperatures ranging from room temperature to 100 °C. Polarization reversal in ZMO followss the Kolmogorov-Avrami-Ishibashi kinetics model for nucleation and growth at applied fields near the coercive field, and obeys an individual column switching (ICS) model at higher applied fields required to switch most of the spontaneous polarization. Switching in the high-applied field regime can be described using either the Gaussian or inverse gamma distribution functions depending on the mole fraction of magnesium in the film. The switching current transients of the high-Mg content ZMO film (x = 0.41) are always bi-modal, whereas the low Mg composition film (x = 0.27) is described by the Gaussian distribution initially following wake-up, and becomes bimodal with continued cycling. Rayleigh-like behavior of the dielectric constant revealed a simultaneous increase of the irreversible and decrease of the reversible contributions to the dielectric constant, which was ascribed to an increase in the density of mobile domain walls with cycling and resulted in faster switching.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2026

A statistical approach to analyzing domain dynamics in ferroelectric crystals using X-ray photon correlation spectroscopy

Ferroelectric materials exhibit strong electromechanical coupling, largely influenced by their domain structures. Numerous microstructural studies indicate that smaller domains with higher domain wall density generally enhance domain wall motion, although some inconsistencies have been reported. In this work, we use X-ray photon correlation spectroscopy (XPCS) to probe dynamic response in Pb(Mg 1/3 Nb 2/3 )O 3 -29PbTiO 3 (PMN-29PT) single crystals under applied electric fields. We introduce a two-field correlation approach, adapted from conventional two-time correlation to quantify dynamics. Statistical analysis reveals that both [001]-oriented direct current (DC) and alternating current (AC) poled samples show Poisson-like behavior within specific electric field regions. The DC-poled samples exhibit more frequent domain wall jump events but with smaller amount of decorrelation per jump event, whereas the AC-poled samples show fewer jump events with larger decorrelation per jump event. This observation aligns with the prevalence of 109° domain walls in the AC-poled samples, which contribute to more domain wall motion. These findings provide experimental evidence of collective domain wall motion and establish a direct connection between mesoscale dynamics and electromechanical response.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Chemical order and local structure of the lead-free relaxor ferroelectric Na{sub 1/2}Bi{sub 1/2}TiO{sub 3}

The A-site mixed perovskite sodium bismuth titanate (Na{sub 1/2}Bi{sub 1/2})TiO{sub 3} (NBT) is investigated by means of first-principles calculations based on density functional theory. By studying different geometries with varying occupations of the A-site, the influence of chemical order on the thermodynamic stability and local structure is explored. We find that the hybridization of Bi 6sp with O 2p-states leads to stereochemically active Bi{sup 3+} lone pairs and increases the stability of structures with high Bi concentrations in {l_brace}001{r_brace}-planes. This goes along with displacive disorder on the oxygen sublattice, which up to now has been neglected in experimental studies. The calculated ordering energies are, however, small as compared to the thermal energy and therefore only short-range chemical order can be expected in experiments. Thus, it is conceivable that chemically ordered local areas can act as nucleation sites for polar nano-regions, which would explain the experimentally observed relaxor behavior of NBT. - Graphical abstract: First-principles calculations give relative stabilities of different chemically ordered structures. The results suggest a new model for the local structure of Na{sub 1/2}Bi{sub 1/2}TiO{sub 3} with 001-ordered nano-regions embedded in a chemically disordered matrix. Chemical order/disorder additionally induces displacive disorder within the oxygen sublattice. Highlights: > Lead-free relaxor ferroelectric Na{sub 1/2}Bi{sub 1/2}TiO{sub 3} is studied by ab initio-calculations. > Structural relaxations in the oxygen sublattice are decisive for relative stabilities. > Chemical environment of oxygen determines relaxation ability. > Bi 6s{sup 2} lone pair formation is the driving force for relaxation. > New structure model: Chemically 001-ordered nano-regions embedded in disordered matrix.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Ferroelectric performances and crystal structures of (Pb, La)(Zr, Ti, Nb)O{sub 3}

In this study, we focused on Nb and La substituted Pb(Zr, Ti)O{sub 3}: i.e., (Pb, La)(Zr, Ti, Nb)O{sub 3}. As for the samples, dependences of ferroelectric properties on La and Nb compositions were examined. In addition, the crystal structures were analyzed by the Rietveld method, and then a relationship between the metal compositions and the crystal structures were discussed. From P–E hysteresis loop measurements, it was found that the remanant polarization of Pb(Zr, Ti)O{sub 3} was increased by both the La and Nb substitutions although the heavy substitution of La had an undesirable effect. It was also indicated that the Curie temperature decreased with increasing La content. The Rietveld analysis using synchrotron X-ray diffraction patterns demonstrated that the structure distortion was relaxed by the La and Nb substitutions. Such a change in the crystals was well consistent with the harmful effects on the Curie temperature and the remanent polarization by the heavy La substitution. - Graphical abstract: Rietveld refinement pattern of 2 mol% PbSiO{sub 3}-added Pb{sub 0.95}La{sub 0.05}Zr{sub 0.50}Ti{sub 0.45}Nb{sub 0.05}O{sub 3} (synchrotron X-ray diffraction). Display Omitted - Highlights: • (Pb,La)(Zr,Ti,Nb)O{sub 3} were successfully synthesized. • Remanant polarization of Pb(Zr,Ti)O{sub 3} was improved by substitutions of La and Nb. • Crystal structures of (Pb,La)(Zr,Ti,Nb)O{sub 3} were refined and the distortions were estimated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

A light-modified ferroelectric resistive switching behavior in Ag/BaMoO{sub 4}/FTO device at ambient temperature

BaMoO{sub 4} powder was prepared by a facile hydrothermal synthesis. And the BaMoO{sub 4}/FTO device was fabricated by a spin-coated method, in which the thickness of BaMoO{sub 4} layer is about 20 µm. The bipolar resistive switching effect has been observed in Ag/BaMoO{sub 4}/FTO device. Moreover, the resistive switching effect of the device is greatly improved by white light irradiation. The resistive switching behavior is explained by the polarization reversal that changes the charge distribution and modulates the Schottky barriers. - Graphical abstract: We fabricate a resistive switching device based on Ag/BaMoO{sub 4}/FTO, the device shows superior white-light controlled bipolar resistive switching memristive characteristics. - Highlights: • The BaMoO{sub 4} nanosquares powder was prepared by a hydrothermal synthesis. • The resistive switching of the Ag/BaMoO{sub 4}/FTO device was observed for the first time. • It is shown that the resistive switching is greatly improved under the white light irradiation. • The mechanism of resistive switching is attributed to the ferroelectric polarization reversal.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

A study approach on ferroelectric domains in BaTiO{sub 3}

Atomic Force Acoustic Microscopy (AFAM) and Piezoresponse Force Microscopy (PFM) were used to study local elastic and electromechanical response in BaTiO{sub 3} ceramics. A commercial multi-mode Scanning Probe Microscopy (SPM) and AFAM mode to image contact stiffness were employed to accomplish the aforementioned purposes. Stiffness parameters along with Young's moduli and piezo coefficients were quantitatively determined. PFM studies were based on electrostatic and electromechanical response from localized tip-surface contact. Comparison was made regarding the Young's moduli obtained by AFAM and PFM. In addition, phase and amplitude images were analyzed based on poling behavior, obtained via the application of − 10 V to + 10 V local voltage. - Highlights: •Nanoscale behavior of piezo domains in BaTiO{sub 3} ferroelectric materials •Use of Atomic Force Acoustic Microscopy (AFAM) and Piezo Force Microscopy (PFM) •Local elastic and electromechanical response in BaTiO{sub 3} ceramics •The young's moduli obtained from AFAM and PFM.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Effects of lanthanum dopants on the Curie–Weiss and the local order behaviors for Pb{sub 1−x}La{sub x}(Fe{sub 2/3}W{sub 1/3}){sub 0.7}Ti{sub 0.3}O{sub 3} relaxor ferroelectrics

Graphical abstract: The local order as a function of temperature by using (a) the spin-glass model and (b) the modified-Landau theory for Pb{sub 1−x}La{sub x}(Fe{sub 2/3}W{sub 1/3}){sub 0.7}Ti{sub 0.3}O{sub 3} ceramics with different amounts of lanthanum dopants. Display Omitted Highlights: ► The effects of La are investigated for Pb{sub 1−x}La{sub x}(Fe{sub 2/3}W{sub 1/3}){sub 0.7}Ti{sub 0.3}O{sub 3} ceramics. ► La can change their dielectric properties and ordering state. ► The spin glassy behaviors and the freezing process are also affected by La. ► The response mechanisms of La are proposed for the local polarization behavior. -- Abstract: The effects of lanthanum dopants are investigated on the dielectric responses for Pb{sub 1−x}La{sub x}(Fe{sub 2/3}W{sub 1/3}){sub 0.7}Ti{sub 0.3}O{sub 3} ceramics. According to the experimental data and fitting results, it is concluded that the dielectric characteristics are changed from a long-range-ordered (LRO) ferroelectric state to a short-range-ordered (SRO) relaxor by increasing the amounts of lanthanum dopants. Furthermore, the spin glassy behaviors and the freezing process of local polarizations are not only affected by the ordering degree of B-site cations but also affected by the defect polar pairs. Their response mechanisms are proposed that the growth of the 1:1 ordered domain Pb{sub 1−x}La{sub x}(Fe{sub 1/2}W{sub 1/2})O{sub 3} is impeded since its charge imbalance is enhanced by increasing the amounts of lanthanum dopants, and the defect polar pairs of lead, tungsten and oxygen vacancy are induced by the pyrochlore phase, PbWO{sub 4} or Pb{sub 0.99}La{sub 0.01}WO{sub 4}, when the amount of lanthanum dopants exceed 5 mol.%.

36 MATERIALS SCIENCE↗
DOE OSTI2013

A Pb(In{sub 1/2}Nb{sub 1/2})O{sub 3}–Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} ternary ferroelectric system with high T{sub C} and high piezoelectric properties

Graphical abstract: Display Omitted Highlights: ► (0.79 − x)Pb(In{sub 1/2}Nb{sub 1/2})O{sub 3}–0.21Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–xPbTiO{sub 3} ceramics were prepared by two-step method. ► A morphotropic phase boundary region has been determined in the composition range of 0.28 < x < 0.32. ► The compositions within MPB region exhibit excellent piezoelectric properties. -- Abstract: (0.79 − x)Pb(In{sub 1/2}Nb{sub 1/2})O{sub 3}–0.21Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–xPbTiO{sub 3} (x = 0.23–0.35) ternary ferroelectric system in the form of ceramics have been synthesized. Its structure and properties have been studied by X-ray powder diffraction and electric measurements. A morphotropic phase boundary region has been determined in the composition range of 0.28 < x < 0.32, where the Curie temperature T{sub C} and the rhombohedral–tetragonal phase transition temperature T{sub RT} were found to vary from 243 °C to 295 °C and 145 °C to 191 °C, respectively, much higher than PMNT and PZNT systems. The compositions within MPB region exhibit excellent piezoelectric properties such as piezoelectric coefficient d{sub 33} > 646 pC/N, T{sub RT} > 145 °C, T{sub C} > 273 °C and E{sub C} > 13 kV/cm for 0.5PIN–0.21PZN–0.29PT and 0.49PIN–0.21PZN–0.30PT, making the ceramics of this system a promising material for high power and high temperature application.

36 MATERIALS SCIENCE↗
DOE OSTI2015

High energy-storage performance of 0.9Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}-0.1PbTiO{sub 3} relaxor ferroelectric thin films prepared by RF magnetron sputtering

Highlights: • High-quality PMN-PT 90/10 RFE thin films were prepared by RF magnetron sputtering. • The maximum discharged density of 31.3 J/cm{sup 3} was obtained in the 750-nm-thick film. • PMN-PT RFE films might be a promising material for energy-storage application. - Abstract: 0.9Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}-0.1PbTiO{sub 3} (PMN-PT 90/10) relaxor ferroelectric thin films with different thicknesses were deposited on the LaNiO{sub 3}/Si (100) by the radio-frequency (RF) magnetron sputtering technique. The effects of thickness and deposition temperature on the microstructure, dielectric properties and the energy-storage performance of the thin films were investigated in detail. X-ray diffraction spectra indicated that the thin films had crystallized into a pure perovskite phase with a (100)-preferred orientation after annealed at 700 °C. Moreover, all the PMN-PT 90/10 thin films showed the uniform and crack-free surface microstructure. As a result, a larger recoverable energy density of 31.3 J/cm{sup 3} was achieved in the 750-nm-thick film under 2640 kV/cm at room temperature. Thus, PMN-PT 90/10 relaxor thin films are the promising candidate for energy-storage capacitor application.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Miniaturized and reconfigurable notch antenna based on a BST ferroelectric thin film

Highlights: • A miniature and agile antenna based on a BST MIM capacitor is simulated and made. • Mn{sup 2+} doped BST thin films are synthesized by chemical deposition and spin coating. • Permittivity and losses of the BST thin film are respectively 225 and 0.02 at 1 GHz. • A miniaturization rate of 70% is obtained with a MIM capacitance of 3.7 pF. • A frequency tunability of 14.5% and a tunability performance of 0.04 are measured. - Abstract: This work deals with the design, realization and characterization of a miniature and frequency agile antenna based on a ferroelectric Ba{sub 0,80}Sr{sub 0,20}TiO{sub 3} thin film. The notch antenna is loaded with a variable metal/insulator/metal (MIM) capacitor and is achieved by a monolithic method. The MIM capacitance is 3.7 pF, which results in a resonant frequency of 670 MHz compared to 2.25 GHz for the unloaded simulated antenna; the resulting miniaturization rate is 70%. The characterization of the antenna prototype shows a frequency tunable rate of 14.5% under an electric field of 375 kV/cm, with a tunability performance η = 0.04.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Few-layer tin sulfide (SnS): Controlled synthesis, thickness dependent vibrational properties, and ferroelectricity

Group IV monochalcogenides, anisotropic van der Waals crystals (and black phosphorus analogues), are attracting increasing interest due to a number of exceptional properties including anisotropic optoelectronics and multiferroicity predicted and in part realized in the ultrathin limit. Due to their enhanced chemical reactivity, both exfoliation and synthesis of monolayer and few-layer crystals pose challenges not found in other 2D/layered materials, such as the transition metal dichalcogenides. In this work, we show that SnS synthesis on SnS 2 van der Waals substrates can address these challenges and consistently produces few-layer flakes, a capability that is explained via analysis of real-time microscopy of the growth process. Raman spectroscopy combined with efficient computations of the Raman-active modes across an extended thickness range enables a comprehensive understanding of the evolution of the vibrational properties of SnS with number of layers. Lateral piezoresponse force microscopy provides unprecedented insight into the stacking-dependent polarization and ferroelectric domain structures in large few-layer SnS flakes. The combined results establish a basis for further fundamental studies and applications of SnS and other group IV monochalcogenides in the few-layer regime.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Reversible magnetism transition at ferroelectric oxide heterointerface

Oxide heterointerface is a platform to create unprecedented two-dimensional electron gas, superconductivity and ferromagnetism, arising from a polar discontinuity at the interface. In particular, the ability to tune these intriguing effects paves a way to elucidate their fundamental physics and to develop novel electronic/magnetic devices. Here, we report for the first time that a ferroelectric polarization screening at SrTiO 3 /PbTiO 3 interface is able to drive an electronic construction of Ti atom, giving rise to room-temperature ferromagnetism. Surprisingly, such ferromagnetism can be switched to antiferromagnetism by applying a magnetic field, which is reversible. A coupling of itinerant electrons with local moments at interfacial Ti 3d orbital was proposed to explain the magnetism. The localization of the itinerant electrons under a magnetic field is responsible for the suppression of magnetism. These findings provide new insights into interfacial magnetism and their control by magnetic field relevant interfacial electrons promising for device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Thermodynamics of Light-Induced Nanoscale Polar Structures in Ferroelectric Superlattices

Here we study the thermodynamics of nanoscale polar structures in PbTiO 3 /SrTiO 3 ferroelectric superlattices induced by above-bandgap optical excitation using a phase-field model explicitly considering both structural and electronic processes. We demonstrate that the light-excited carriers provide the charge compensation of polarization bound charges and the lattice thermal energy, both of which are key to the thermodynamic stabilization of a previously observed supercrystal, a three dimensionally periodic nanostructure, within a window of substrate strains, while different mechanical and electrical boundary conditions can stabilize a number of other nanoscale polar structures by balancing the competing short-range exchange interactions responsible for the domain wall energy and longrange electrostatic and elastic interactions. The insights into the light-induced formation and richness of nanoscale structures from this work offer theoretical guidance for exploring and manipulating the thermodynamic stability of nanoscale polar structures employing a combination of thermal, mechanical, and electrical stimuli as well as light.

36 MATERIALS SCIENCE↗