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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Ferroelectric phase transition in group-IV monochalcogenides from an equivariant machine learned force field

Group-IV monochalcogenides are a class of layered ferroelectric semiconductors that have demonstrated spontaneous intrinsic polarization above room temperature. Here, in this study, we use the multi-atomic cluster expansion (MACE) machine learning architecture to train and test a force field capable of modeling the structural properties and second-order ferroelectric-to-paraelectric phase transition in a Group-IV monochalcogenide, GeSe. The model captures the double-well potential energy surface associated with the onset of macroscopic polarization in bulk GeSe within 12.5 meV/atom, as well as near-equilibrium properties like the phonon dispersion. The development of this quantitatively accurate force field enables long-time molecular dynamics simulations, which predict the critical temperature of the ferroelectric-to-paraelectric phase transition in bulk GeSe to be T c = 600 K. This study demonstrates the capabilities of equivariant force-fields to accurately describe phenomena associated with structural symmetry breaking.

ferroelectricity↗
DOE OSTI2024

Mapping domain structures near a grain boundary in a lead zirconate titanate ferroelectric film using X-ray nanodiffraction

The effect of an electric field on local domain structure near a 24° tilt grain boundary in a 200 nm-thick Pb(Zr 0.2 Ti 0.8 )O 3 bi-crystal ferroelectric film was probed using synchrotron nanodiffraction. The bi-crystal film was grown epitaxially on SrRuO 3 -coated (001) SrTiO 3 24° tilt bi-crystal substrates. From the nanodiffraction data, real-space maps of the ferroelectric domain structure around the grain boundary prior to and during application of a 200 kV cm −1 electric field were reconstructed. In the vicinity of the tilt grain boundary, the distributions of densities of c -type tetragonal domains with the c axis aligned with the film normal were calculated on the basis of diffracted intensity ratios of c - and a -type domains and reference powder diffraction data. Diffracted intensity was averaged along the grain boundary, and it was shown that the density of c -type tetragonal domains dropped to ∼50% of that of the bulk of the film over a range ±150 nm from the grain boundary. This work complements previous results acquired by band excitation piezoresponse force microscopy, suggesting that reduced nonlinear piezoelectric response around grain boundaries may be related to the change in domain structure, as well as to the possibility of increased pinning of domain wall motion. The implications of the results and analysis in terms of understanding the role of grain boundaries in affecting the nonlinear piezoelectric and dielectric responses of ferroelectric materials are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Switching it up: New mechanisms revealed in wurtzite-type ferroelectrics

Wurtzite-type ferroelectrics have drawn increasing attention due to the promise of better performance and integration than traditional oxide ferroelectrics with semiconductors such as Si, SiC, and III-V compounds. However, wurtzite-type ferroelectrics generally require enormous electric fields, approaching breakdown, to reverse their polarization. The underlying switching mechanism(s), especially for multinary compounds and alloys, remains elusive. Here, we examine the switching behaviors in Al 1-x Sc x N alloys and wurtzite-type multinary candidate compounds we recently computationally identified. We find that switching in these tetrahedrally coordinated materials proceeds via a variety of nonpolar intermediate structures and that switching barriers are dominated by the more-electronegative cations. For Al 1-x Sc x N alloys, we find that the switching pathway changes from a collective mechanism to a lower-barrier mechanism enabled by inversion of individual tetrahedra with increased Sc composition. Our findings provide insights for future engineering and realization of wurtzite-type materials and open a door to understanding domain motion.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Pushing the limits of NAND technology scaling with ferroelectrics

Artificial intelligence (AI) continues to drive transformative advancements across various industries. The data-intensive nature of AI training (and inferencing) has resulted in the generation of unprecedented volumes of data with machine-generated content surpassing human-generated data by more than 100-fold in 2025. Efficiently managing this data influx necessitates advanced digital storage technologies. However, traditional NAND flash memory, which is critical for supporting data flows in AI systems—alongside high-bandwidth memory, for AI training—faces fundamental scaling limitations as it approaches the 1000-layer milestone, encompassing more than 40 trillion transistors. This article delves into the potential of hafnia-based ferroelectric materials as a breakthrough solution to these challenges. Recent advancements indicate that the intrinsic limitations of ferroelectric field-effect transistors (FEFETs) can be mitigated through material and device-level engineering. These advancements enable FEFETs to meet the stringent density, reliability, and scalability requirements of future three-dimensional NAND technology. The role of ferroelectrics in addressing NAND scaling challenges and expanding storage capabilities presents a promising avenue for meeting the storage demands of the AI-driven era.

3D NAND↗
NASA NTRS2014

High Temperature Ferroelectrics for Actuators: Recent Developments and Challenges

A variety of piezoelectric applications have been driving the research in development of new high temperature ferroelectrics; ranging from broader markets such as fuel and gas modulation and deep well oil drilling to very specific applications such as thermoacoustic engines and ultrasonic drilling on the surface of Venus. The focus has been mostly on increasing the Curie temperature. However, greater challenges for high temperature ferroelectrics limit the operating temperature to levels much below the Curie temperature. These include enhanced loss tangent and dc conductivity at high fields as well as depoling due to thermally activated domain rotation. The initial work by Eitel et al. [Jpn. J. Appl. Phys., 40 [10, Part 1] 59996002 (2001)] increased interest in investigation of Bismuth containing perovskites in solid solution with lead titanate. Issues that arise vary from solubility limits to increased tetragonality; the former one prohibits processing of morphotropic phase boundary, while the latter one impedes thorough poling of the polycrystalline ceramics. This talk will summarize recent advances in development of high temperature piezoelectrics and provide information about challenges encountered as well as the approaches taken to improve the high temperature behavior of ferroelectrics with a focus on applications that employ the converse piezoelectric effect.

Piezoelectric↗
DOE OSTI2025

Manipulating Ferroelectric Topological Polar Structures with Twisted Light

Abstract The dynamic control of non‐equilibrium states represents a central challenge in condensed matter physics. While intense terahertz fields drive metal‐insulator transitions and ferroelectricity via soft phonon modes, recent theory suggests that twisted light with orbital angular momentum (OAM) offers a distinct route to manipulate ferroelectric order and stabilize topological excitations including skyrmions, vortices, and Hopfions. Control of ferroelectric polarization in quasi‐2D CsBiNb 2 O 7 (CBNO) is demonstrated using non‐resonant twisted ultra‐violet (UV) light (375 nm, 800 THz). Combining in situ X‐ray Bragg coherent diffractive imaging (BCDI), twisted optical Raman spectroscopy, and density functional theory (DFT), three‐dimensional (3D) ionic displacements, strain fields, and polarization changes are resolved in single crystals. Operando measurements reveal light‐induced strain hysteresis under twisted light–a hallmark of nonlinear, history‐dependent ferroelastic switching driven by OAM. Discrete, irreversible domain transitions emerge as the topological charge ℓ is cycled, stabilizing non‐trivial domain textures including vortex‐antivortex pairs, Bloch/anti‐Bloch points, and merons. These persist after OAM removal, indicating a memory effect. Competing mechanisms are discussed, including multiphoton absorption, strain‐mediated polarization switching, and defect‐wall interactions. The findings establish structured light as a tool for deterministic, reversible control of ferroic states, enabling optically reconfigurable non‐volatile devices.

Chemistry↗
DOE OSTI2025

Asymmetry of the Ferroelectric Phase Transition in BaTiO 3

Symmetry changes during phase transformations fundamentally determine the behavior of thermodynamic systems, governing phenomena as diverse as water evaporation, fermion condensation, and epidemic spreading. Phase transitions are conventionally divided into two classes, and this classification is typically assumed to remain invariant upon reversing the transition. Here, an asymmetric phase transformation is uncovered in the ferroelectric–paraelectric transition of single-crystal BaTiO 3 , a model system for first-order transitions. Under slow temperature variation (≤0.1 °C min −1 ), thermodynamic, dielectric, and domain-structure measurements reveal that the ferroelectric-to-paraelectric transition exhibits latent heat, phase coexistence, and a discontinuous order parameter, while these signatures are absent upon cooling. Complementary phase-field simulations demonstrate similar behavior, attributing it to distinct elastic strain energy accumulation and release during heating and cooling. These findings reveal a first-order character upon heating but a second-order-like behavior upon cooling, challenging the conventional paradigm of symmetric phase-transition classification and suggesting new possibilities for ferroelectric-based energy storage.

Hershkovitz, Asaf [Technion-Israel Institute of Te↗
DOE OSTI2025

Colossal Terahertz Emission with Ultrafast Tunability Based on Van der Waals Ferroelectric NbOI 2

Abstract Terahertz (THz) technology is critical for quantum material physics, biomedical imaging, ultrafast electronics, and next‐generation wireless communications. However, standing in the way of widespread applications is the scarcity of efficient ultrafast THz sources with on‐demand fast modulation and easy on‐chip integration capability. Here the discovery of colossal THz emission is reported from a van der Waals (vdW) ferroelectric semiconductor NbOI 2 . Using THz emission spectroscopy, a THz generation efficiency an order of magnitude higher than that of ZnTe, a standard nonlinear crystal for ultrafast THz generation is observed. The underlying generation mechanisms associated are further uncovered with its large ferroelectric polarization by studying the THz emission dependence on excitation wavelength, incident polarization, and fluence. Moreover, the ultrafast coherent amplification and annihilation of the THz emission and associated coherent phonon oscillations by employing a double‐pump scheme are demonstrated. These findings combined with first‐principles calculations, inform a new understanding of the THz light–matter interaction in emergent vdW ferroelectrics and pave the way to develop high‐performance THz devices on them for quantum materials sensing and ultrafast electronics.

Subedi, Sujan [Department of Materials Science and↗
DOE OSTI2025

Imaging Domain Walls in van der Waals Ferroelectrics Using Tip-Enhanced Second Harmonic Generation

van der Waals ferroelectrics have captured significant interest for applications in novel memory and neuromorphic computing devices. Within these materials, interfaces between regions of different ferroelectric polarizations (i.e., domain walls) exhibit distinctive behaviors. Characterization of these behaviors remains a challenge, as domain wall thickness resides at the nanoscale. Using tip-enhanced second harmonic generation (TESHG), we demonstrate nanoscale imaging of domain walls in 2D ferroelectric α-In 2 Se 3 . With a narrow-band near-IR laser, we take advantage of high-wavelength, off-resonant signal enhancement to generate robust and reproducible TESHG. In conclusion, a 16 nm spatial resolution is achieved, and we identify spectral features suggesting that nonlocal effects from domain walls persist nanometers into adjacent domains.

Mantilla, Alexander B. C. [Washington State Univ.,↗
DOE OSTI2025

Oxygen vacancy-induced ferroelectric effect in (111) strontium titanate single crystals controls photoelectrochemical water oxidation

Ferroelectric materials, such as tetragonal BaTiO 3 , have a permanent electric polarization that can be controlled with an external electric field, however, a ferroelectric polarization in cubic SrTiO 3 is forbidden by the higher symmetry of the lattice. Here we demonstrate that hydrogen annealed SrTiO 3−x single crystals can be polarized electrically, and that the polarization controls the activity for photoelectrochemical water oxidation, a pathway to solar hydrogen fuel. Specifically, it is observed that the anodic water oxidation photocurrent increases from 0.99 to 2.22 mA cm −2 at 1.23 V RHE (60 mW cm −2 , UV illumination) or decreases to 0.50 mA cm −2 after electric polarization of hydrogen-annealed (111) SrTiO 3−x single crystals in forward or reverse direction. The polarization also modifies the surface photovoltage signal of the material and its flat band potential, based on Mott–Schottky measurements. These observations are attributed to the formation of an electric dipole at the (111) SrTiO 3−x surface, which alters the potential drop across the depletion layer at the solid–liquid junction, and with it the electron transfer barrier. Density functional theory calculations confirm that an electric dipole can result from the movement of oxygen vacancies between the surface or sub-surface layers of SrTiO 3−x . The filling of these surface oxygen vacancies is the probable cause for the observed disappearance of the electric polarization after 24 h storage in air and 48 h in argon. Overall, this work establishes a new surface-based ferroelectric effect in SrTiO 3−x and its use for solar energy conversion during photoelectrochemical water oxidation. Because oxygen vacancy defects are common, similar electric polarization effects are to be expected in other metal oxides.

Assavachin, Samutr [University of California, Davi↗
DOE OSTI2025

Demonstration of Vertical 2T-nC FeRAM Hybrid Cell and Its Scalability for High-Density 3-D Ferroelectric Capacitor Memory

In this work, we present a comprehensive experimental and modeling study on the scaling of vertical 2T-nC ferroelectric random access memory (FeRAM) hybrid cells, comprising n metal-ferroelectric–metal (MFM) capacitors, to demonstrate a high-performance and high-density 3-D capacitor memory. Our contributions include: 1) successful process integration of vertical 2T-3C FeRAM cells by stacking MFM structures on top of Si CMOS transistors; 2) experimental validation of memory cell functionality, confirming the feasibility of the vertical 2T-nC FeRAM architecture; 3) an analysis of scaling effects on parasitic capacitance in densely integrated 3-D arrays, using 3-D technology computer-aided design (TCAD) simulations; 4) exploration of aggressive stacking of write bitlines (WBLs) to enhance memory density, where ferroelectric linear capacitance ( C FE ) enables self-boosted inhibition under the V W /2 scheme, but renders the V W /3 scheme ineffective due to intolerable write disturbances; and 5) assessment of horizontal scaling, revealing significant increases in read disturbances caused by interplane capacitance between adjacent WBLs ( C Z ). This work represents an early exploration into the potential of 2T-nC FeRAM as a scalable and efficient 3-D memory solution.

42 ENGINEERING↗
NASA NTRS1991

Ferroelectric Memory Capacitors For Neural Networks

Thin-film ferroelectric capacitors proposed as nonvolatile analog memory devices. Intended primarily for use as synaptic connections in electronic neural networks. Connection strengths (synaptic weights) stored as nonlinear remanent polarizations of ferroelectric films. Ferroelectric memory and interrogation capacitors combined into memory devices in vertical or lateral configurations. Photoconductive layer modulated by light provides variable resistance to alter bias signal applied to memory capacitor. Features include nondestructive readout, simplicity, and resistance to ionizing radiation. Interrogated without destroying stored analog data. Also amenable to very-large-scale integration. Allows use of ac coupling, eliminating errors caused by dc offsets in amplifier circuits of neural networks.

Thakoor, Sarita↗
NASA NTRS1992

High speed, nondestructive readout from thin-film ferroelectric memory

High-speed polarization-direction-dependent photoresponse from ferroelectric lead zirconate titanate (PbZr(0.53)Ti(0.47)O3) thin films sandwiched between conducting electrodes to form a memory capacitor is reported. Laser pulses with a full width at half maximum of around 10 ns at 532-nm wavelength are utilized to readout the photoresponse signal from individual polarized elements. Such readout is repeated over a million times, with no detectable degradation in the photoresponse or the remanent polarization suggesting its potential as a nondestructive readout (NDRO) of nonvolatile polarization state in thin-film ferroelectric memories. In principle both electronic as well as thermal mechanisms could be triggered by such photon exposure of ferroelectric thin films. A comparison of the photoresponse from capacitors with semitransparent and opaque top electrodes suggests that the observed NDRO signal is primarily due to thermally triggered mechanisms.

Thakoor, Sarita↗
NASA NTRS1999

I-V Characteristics of a Ferroelectric Field Effect Transistor

There are many possible uses for ferroelectric field effect transistors.To understand their application, a fundamental knowledge of their basic characteristics must first be found. In this research, the current and voltage characteristics of a field effect transistor are described. The effective gate capacitance and charge are derived from experimental data on an actual FFET. The general equation for a MOSFET is used to derive the internal characteristics of the transistor: This equation is modified slightly to describe the FFET characteristics. Experimental data derived from a Radiant Technologies FFET is used to calculate the internal transistor characteristics using fundamental MOSFET equations. The drain current was measured under several different gate and drain voltages and with different initial polarizations on the ferroelectric material in the transistor. Two different polarization conditions were used. One with the gate ferroelectric material polarized with a +9.0 volt write pulse and one with a -9.0 volt pulse.

MacLeod, Todd C.↗
NASA NTRS2000

Life Cycle Testing of Ba(x)Sr(1-x)TiO3 Ferroelectric Thin Films in a Tunable Microwave Device

Thin film ferroelectrics are being studied as candidates for novel tunable microwave components such as tunable filters, tunable oscillators, and phase shifters for applications in phased array antennas. Much work has been done optimizing the ferroelectric material and in producing proof-of-concepts of these components. However, little attention has been given to their reliability. In this study we present our results on the reliability of high quality K-band phase shifters made of Ba(sub x)Sr(sub 1-x)TiO3 (BSTO) ferroelectric thin films (0.5 to 0.75 micrometers thick) on MgO and LAO. The phase shift and insertion loss were measured at 300 K over 104 operation cycles within a 0 to 400 V dc bias range (0 to 40 V/micrometer) at 15, 18, and 22 GHz. Results for these phase shifters indicate that in general there were no appreciable changes in phase shift after 4x10(exp 4) cycles, suggesting that these phase shifters are robust enough to sustain optimal performance under the operating mode typical of fast tracking phased arrays.

Miranda, Felix A.↗
NASA NTRS2001

Effect of Selectively Etched Ferroelectric Thin-Film Layer on the Performance of a Tunable Bandpass Filter

The main purpose of this work is to study the effect of a selectively etched ferroelectric thin film layer on the performance of an electrically tunable filter. An X-band tunable filter was designed, fabricated and tested on a selectively etched Barium Strontium Titanate (BSTO) ferroelectric thin film layer. Tunable filters with varying lengths of BSTO thin-film in the input and output coupling gaps were modeled, as well as experimentally tested. Experimental results showed that filters with coupling gaps partially filled with BSTO maintained frequency tunability and improved the insertion loss by approx. 2dB. To the best of our knowledge, these results represent the first experimental demonstration of the advantages of selective etching in the performance of thin film ferroelectric-based tunable microwave components.

Subramanyam, Guru↗
NASA NTRS2000

Implementation of Ferroelectric Memories for Space Applications

Ferroelectric random access semiconductor memories (FeRAMs) are an ideal nonvolatile solution for space applications. These memories have low power performance, high endurance and fast write times. By combining commercial ferroelectric memory technology with radiation hardened CMOS technology, nonvolatile semiconductor memories for space applications can be attained. Of the few radiation hardened semiconductor manufacturers, none have embraced the development of radiation hardened FeRAMs, due a limited commercial space market and funding limitations. Government funding may be necessary to assure the development of radiation hardened ferroelectric memories for space applications.

Philpy, Stephen C.↗
NASA NTRS2007

Advances in Scanning Reflectarray Antennas Based on Ferroelectric Thin Film Phase Shifters for Deep Space Communications

Though there are a few examples of scanning phased array antennas that have flown successfully in space, the quest for low-cost, high-efficiency, large aperture microwave phased arrays continues. Fixed and mobile applications that may be part of a heterogeneous exploration communication architecture will benefit from the agile (rapid) beam steering and graceful degradation afforded by phased array antennas. The reflectarray promises greater efficiency and economy compared to directly-radiating varieties. Implementing a practical scanning version has proven elusive. The ferroelectric reflectarray, under development and described herein, involves phase shifters based on coupled microstrip patterned on Ba(x)Sr(1-x)TiO3 films, that were laser ablated onto LaAlO3 substrates. These devices outperform their semiconductor counterparts from X- through and K-band frequencies. There are special issues associated with the implementation of a scanning reflectarray antenna, especially one realized with thin film ferroelectric phase shifters. This paper will discuss these issues which include: relevance of phase shifter loss; modulo 2(pi) effects and phase shifter transient effects on bit error rate; scattering from the ground plane; presentation of a novel hybrid ferroelectric-semiconductor phase shifter; and the effect of mild radiation exposure on phase shifter performance.

Romanofsky, Robert R.↗