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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Phase diagram of magnetic shape memory alloy Ni 50 Mn $50–x$ In $x$ , 0 < $x$ , 25 from first principles, via spin cluster expansion and phonon vibrational entropies

The metamagnetic shape memory Heusler alloy Ni 50 Mn $50–x$ In $x$ exhibits a rich phase diagram featuring competing magnetic states, coupled magnetic–structural phase transitions, and strong compositional sensitivity. Existing first-principles approaches struggletocapturetheintertwinedchemical, magnetic, andvibrationaleffectsinthesealloys, necessitating a more integrated modeling framework. We develop a spin cluster expansion (spin-CE) framework augmented by a quasi-harmonic phonon model to capture both configurational (chemical and magnetic) and vibrational contributions to the free energy of Ni 50 Mn $50–x$ In $x$ over the full compositional range 0 ≤ x ≤25. The spin-CE includes both chemical clusters and composition-dependent Ising spin interactions, with parameters fit to a first-principles density functional theory (DFT) dataset. Using this approach, we predict the complete magnetostructural phase diagram and transformation temperatures of Ni 50 Mn $50–x$ In $x$ across the composition space. We find that vibrational entropy alone is insufficient to reproduce the martensitic transformation in the magnetic shape memory alloy regime, highlighting the essential role of magnetism. Incorporating both magnetic and vibrational contributions allows us to reproduce all experimentally known phases, including the disappearance of the stable martensite phase at a critical In concentration and the Curie temperature of the austenite phase. The method also captures the transition with increasing In in martensite from antiferromagnetic to ferromagnetic order and predicts re-entrant ferromagnetism, though the latter occurs at higher In content than reported experimentally. We discuss possible sources of this discrepancy and highlight the broader applicability of the method to other magnetostructurally complex materials, where it may offer mechanistic insight and predictive design capabilities.

Cluster expansion↗
DOE OSTI2025

Quantum Imaging of Ferromagnetic van der Waals Magnetic Domain Structures at Ambient Conditions

Recently discovered 2D van der Waals magnetic materials, and specifically iron–germanium–telluride (Fe5GeTe2), have attracted significant attention both from a fundamental perspective and for potential applications. Key open questions concern their domain structure and magnetic phase transition temperature as a function of sample thickness and external field, as well as implications for integration into devices such as magnetic memories and logic. Here we address key questions using a nitrogen-vacancy center based quantum magnetic microscope, enabling direct imaging of the magnetization of Fe5GeTe2 at submicrometer spatial resolution as a function of temperature, magnetic field, and thickness. This quantum imaging technique provides noninvasive, high-sensitivity measurements with high spatial resolution under ambient conditions, making it particularly well suited for probing 2D magnets. We employ spatially resolved measures, including magnetization variance and cross-correlation, and find a significant spread in transition temperature yet with no clear dependence on thickness down to 15 nm. We also identify previously unknown stripe features in the optical as well as magnetic images, which we attribute to modulations of the constituting elements during crystal synthesis and subsequent oxidation. Our results suggest that the magnetic anisotropy in this material does not play a crucial role in their magnetic properties, leading to a magnetic phase transition of Fe5GeTe2 which is largely thickness-independent down to 15 nm. Our findings could be significant in designing future spintronic devices, magnetic memories, and logic with 2D van der Waals magnetic materials.

Bindu, Bindu [Hebrew University of Jerusalem, Isra↗
DOE OSTI2025

Error-Free and Current-Driven Synthetic Antiferromagnetic Domain Wall Memory Enabled by Channel Meandering

We propose a new type of energy-efficient multi-bit magnetic memory based on current-driven, field-free, controlled domain wall motion. A meandering domain wall channel with precisely interspersed pinning regions provides the multi-bit capability of a magnetic tunnel junction memory. The magnetic free layer of the memory device has perpendicular magnetic anisotropy (PMA) and interfacial Dzyaloshinskii-Moriya interaction (DMI) so that spin-orbit torques (SOTs) induce efficient domain wall motion. Using micromagnetic simulations, we find two different cell designs: two-way switching and four-way switching. The memory cell design choices and the physics of pinning mechanisms are discussed in detail. Furthermore, we show that switching reliability and speed may be significantly improved by replacing the ferromagnetic free layer with a synthetic antiferromagnetic (SAF) layer. Switching behavior and material choices will be discussed for the two memory implementations.

magnetic domain wall↗
DOE OSTI2024

Spectroscopic Signatures of Phonon Character in Molecular Electron Spin Relaxation

Spin–lattice relaxation constitutes a key challenge for the development of quantum technologies, as it destroys superpositions in molecular quantum bits (qubits) and magnetic memory in single molecule magnets (SMMs). Gaining mechanistic insight into the spin relaxation process has proven challenging owing to a lack of spectroscopic observables and contradictions among theoretical models. Here, we use pulse electron paramagnetic resonance (EPR) to profile changes in spin relaxation rates (T 1 ) as a function of both temperature and magnetic field orientation, forming a two-dimensional data matrix. For randomly oriented powder samples, spin relaxation anisotropy changes dramatically with temperature, delineating multiple regimes of relaxation processes for each Cu(II) molecule studied. We show that traditional T 1 fitting approaches cannot reliably extract this information. Single-crystal T 1 anisotropy experiments reveal a surprising change in spin relaxation symmetry between these two regimes. We interpret this switch through the concept of a spin relaxation tensor, enabling discrimination between delocalized lattice phonons and localized molecular vibrations in the two relaxation regimes. Variable-temperature T 1 anisotropy thus provides a unique spectroscopic method to interrogate the character of nuclear motions causing spin relaxation and the loss of quantum information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Advances in relaxation and memory effects of magnetic nanoparticles for biomedical applications

Functionalized magnetic nanoparticles are pivotal in magnetic resonance imaging, computed tomography, controlled drug delivery, and hyperthermia treatments due to their exceptional magnetic relaxation and functional properties. The magnetic core composition and structure significantly affects the complex magnetic properties of these nanoparticles necessitating a thorough examination of magnetism fundamentals related to these systems. One important aspect is the ability of magnetic nanoparticles to retain previous magnetic state configurations known as memory effect, primarily governed by domain structure and magnetic anisotropy. Despite its relevance to advanced applications, comprehensive studies on magnetic relaxation and memory effects remain limited. Here, the present review aims to bridge this gap by investigating relaxation mechanisms, synthesis strategies, and applications, fostering further innovation. It investigates the memory effects and their dependence on particle composition and morphology along with key synthesis techniques for large-scale production in industrial adoption. Structured into focused sections on magnetic properties and their influence on biomedical and technological applications, this review provides essential insights into memory effects, magneto-relaxation mechanisms, influencing factors, and both experimental and theoretical methodologies. It also delves into computational modelling and AI-driven design, which are revolutionizing the prediction, discovery, and optimization of materials with tailored properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Structural properties and recrystallization effects in ion beam modified B20-type FeGe films

Disordered iron germanium (FeGe) has recently garnered interest as a testbed for a variety of magnetic phenomena as well as for use in magnetic memory and logic applications. This is partially owing to its ability to host skyrmions and antiskyrmions—nanoscale whirlpools of magnetic moments that could serve as information carriers in spintronic devices. In particular, a tunable skyrmion–antiskyrmion system may be created through precise control of the defect landscape in B20-phase FeGe, motivating the development of methods to systematically tune disorder in this material and understand the ensuing structural properties. To this end, we investigate a route for modifying magnetic properties in FeGe. In particular, we irradiate epitaxial B20-phase FeGe films with 2.8 MeV Au 4+ ions, which creates a dispersion of amorphized regions that may preferentially host antiskyrmions at densities controlled by the irradiation fluence. To further tune the disorder landscape, we conduct a systematic electron diffraction study with in situ annealing, demonstrating the ability to recrystallize controllable fractions of the material at temperatures ranging from ~150 to 250°C. Finally, we describe the crystallization kinetics using the Johnson–Mehl–Avrami–Kolmogorov model, finding that the growth of crystalline grains is consistent with diffusion-controlled one-to-two dimensional growth with a decreasing nucleation rate.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Unconventional unidirectional magnetoresistance in heterostructures of a topological semimetal and a ferromagnet

Unidirectional magnetoresistance (UMR) in a bilayer heterostructure, consisting of a spin-source material and a magnetic layer, refers to a change in the longitudinal resistance on the reversal of magnetization and originates from the interaction of non-equilibrium spin accumulation and magnetization at the interface. Since the spin polarization of an electric-field-induced non-equilibrium spin accumulation in conventional spin-source materials is restricted to be in the film plane, the ensuing UMR can only respond to the in-plane component of magnetization. However, magnets with perpendicular magnetic anisotropy are highly desired for magnetic memory and spin-logic devices, whereas the electrical read-out of perpendicular magnetic anisotropy magnets through UMR is critically missing. Here, in this study, we report the discovery of an unconventional UMR in the heterostructures of a topological semimetal (WTe 2 ) and a perpendicular magnetic anisotropy ferromagnetic insulator (Cr 2 Ge 2 Te 6 ), which allows to electrically read the up and down magnetic states of the Cr 2 Ge 2 Te 6 layer through longitudinal resistance measurements.

Kao, I-Hsuan [Carnegie Mellon Univ., Pittsburgh, P↗
DOE OSTI2025

Magnetic Blocking in Fluoflavine Radical-Bridged Dilanthanide Complexes

Magnetic exchange coupling is difficult to foster in polynuclear lanthanide (Ln) complexes and poorly understood. While coupling Ln ions through closed-shell ligands is inherently weak due to the contracted 4f orbitals, placing open-shell ligands instead has proven to promote orders of magnitude stronger coupling, giving rise to single-molecule magnets (SMMs) innate to real magnetic memory effect in the case of the anisotropic Ln ions. Notably, the impact of radical bridges with differing oxidation states on magnetic blocking remains unexplored due to lack of Ln SMMs with radicals in two distinct charge states. Herein, the first dilanthanide complexes (Ln = Gd, Dy) containing fluoflavine (flv) bridges, [(Cp* 2 Ln) 2 (μ-flv z )]X, (where X = [Al(OC{CF 3 } 3 ) 4 ] − (z = 1−•), 1-Ln; X = 0 (z = 2−), 2-Ln; X =[K(crypt-222)] + (z = 3−•), 3-Ln) are reported. 1-Ln and 3-Ln, comprising the flv 1−• and flv 3−• radical bridges, were investigated via single-crystal X-ray diffraction (SCXRD), ultraviolet−visible (UV−vis) spectroscopy, Superconducting Quantum Interference Device (SQUID) magnetometry, high-field electron paramagnetic resonance (HF-EPR) spectroscopy and broken-symmetry density functional theory (BS-DFT) calculations. 1-Dy and 3-Dy constitute the first SMMs innate to radicals in two differing oxidation states. 1-Dy exhibits a spin-reversal barrier U eff of 28.36 cm −1 and open magnetic hysteresis loops below 3 K. By contrast, 3-Dy displays a much higher U eff of 143(2) cm −1 and open hysteresis loops until 9.5 K, representing a record for dilanthanide SMMs containing an organic radical bridge. The boost in SMM properties in 3-Dy is attributed to spin-phonon coupling and improved frontier orbital structure. This study paves the way for advanced design strategies of polynuclear Ln SMMs.

Benner, Florian [Michigan State Univ., East Lansin↗
DOE OSTI2026

Magnetic hysteresis experiments performed on quantum annealers

While quantum annealers have emerged as versatile and controllable platforms for experimenting on correlated spin systems, the important phenomenology of magnetic memory and hysteresis remain unexplored on hardware designed to escape metastable states via quantum tunneling. Here, we present the first general protocol to experiment on magnetic hysteresis on programmable quantum annealers and implement it on three D-Wave superconducting qubit quantum annealers, using up to thousands of spins, for both ferromagnetic and disordered Ising models, and across different graph topologies. We observe hysteresis loops whose area depends nonmonotonically on quantum fluctuations, exhibiting both expected and unexpected features, such as disorder-induced steps and nonmonotonicities. Our work establishes quantum annealers as a platform for probing nonequilibrium emergent magnetic phenomena, thereby broadening the role of analog quantum computers into foundational questions in condensed matter physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Discovery of a layered multiferroic compound Cu 1-x Mn 1+y SiTe 3 with strong magnetoelectric coupling

Multiferroic materials host both ferroelectricity and magnetism, offering potential for magnetic memory and spin transistor applications. Here, we report a multiferroic chalcogenide semiconductor Cu 1-x Mn 1+y SiTe 3 (0.04 ≤ x ≤ 0.26; 0.03 ≤ y ≤ 0.15), which crystallizes in a polar monoclinic structure (Pm space group). It exhibits a canted antiferromagnetic state below 35 kelvin, with magnetic hysteresis and remanent magnetization under 15 kelvin. We demonstrate multiferroicity and strong magnetoelectric coupling through magnetodielectric and magnetocurrent measurements. At 10 kelvin, the magnetically induced electric polarization reaches ~0.8 microcoulombs per square centimeter, comparable to the highest value in oxide multiferroics. We also observe possible room-temperature ferroelectricity. Given that multiferroicity is very rare among transition metal chalcogenides, our finding sets up a unique materials platform for designing multiferroic chalcogenides.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Strain and Defect-Tailored Magnetotransport in NiCo 2 O 4 Thin Films and Freestanding Membranes

Magnetic spinel NiCo 2 O 4 is promising for developing spintronic applications due to its high magnetic Curie temperature, high spin polarization, fast spin dynamics, and strain-tunable magnetic anisotropy, while its electronic and magnetic properties depend sensitively on epitaxial strain and disorder. Here, in this study, we use epitaxial NiCo 2 O 4 thin films and freestanding NiCo 2 O 4 membranes as model systems to reveal the complex interplay of strain and defects in determining the metallicity and magnetotransport properties of the ferrimagnetic spinel. NiCo 2 O 4 on perovskite substrates and NiCo 2 O 4 membranes exhibit insulating behaviors and spin canting, in sharp contrast to the metallic NiCo 2 O 4 films on spinel substrates that possess strong perpendicular magnetic anisotropy. Anisotropic magnetoresistance studies provide critical information about disorder-induced spin scattering and strain-induced tetragonal magnetocrystalline anisotropy, which is corroborated by comprehensive electron microscopy characterizations. Our study presents a promising venue for designing flexible magnetic memory, sensor, and spintronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Emergent ferromagnetism and unusual irreversible magnetoresistance in an intercalated van der Waals antiferromagnet

Orthorhombic air-stable two-dimensional (2D) antiferromagnet (AFM) CrSBr has attracted much research interest lately thanks to its rich magnetic behaviors together with its remarkable electronic, excitonic, and polaritonic properties. Here, we report a reliable electrochemical intercalation method by inserting large tetrabutylammonium (TBA + ) ions into CrSBr layers. Magnetically, such intercalation efficiently suppresses the interlayer AFM and induces a ferromagnetic (FM) order with a much-enhanced transition temperature up to 200 K, nearly 70 K higher than the AFM onset of 132 K in pristine CrSBr. Electronically, the TBA + intercalation not only increases the electric conductivity of CrSBr, which is further enhanced by magnetic fields, but also introduces a giant negative irreversible magnetoresistance. This work demonstrates the tunable magnetic and electronic properties of CrSBr as well as their interplay, paving the way for advanced spintronic and magnetic memory devices.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Inductance meets memory in a quantum magnet

Orbital degrees of freedom offer a largely untapped route to emergent dynamical phenomena in correlated quantum materials. However, it remains unclear whether collective orbital states can intrinsically generate both reactive and memory functionalities in a bulk system. Here we show that in the ferrimagnet Mn₃Si₂Te₆, nonequilibrium reconfiguration of chiral orbital currents produces both emergent inductance and nonvolatile memristance as intrinsic properties of a single crystal. At low frequency and under a magnetic field along the c axis, coherent orbital-current domains generate robust clockwise inductive I-V loops. At higher frequency and low field, current-driven first-order reconfiguration leads to incomplete reversal and metastable trapping, producing an intrinsic electromotive force and a finite remanent voltage at zero current. These results establish orbital currents as a class of quantum state variables that encode both reactive and memory functionalities, opening routes toward intrinsically reconfigurable and energy-efficient electronic systems.

Cao, Tristan [University of Colorado, Boulder]↗
DOE OSTI2026

A compact in situ polarized 3He neutron spin filter for the diffractometer VULCAN at the Spallation Neutron Source

We have built and commissioned a compact in situ 3He polarizer based on spin-exchange optical pumping for the engineering materials diffractometer, named VULCAN, at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory. The system achieved 78% 3He polarization with a short pump-up time constant of 2.2 h. Its first deployment in an in situ half-polarized neutron diffraction experiment on a magnetic shape memory alloy, Ni–Mn–Ga, revealed changes in magnetization coupled to deformation twinning under compression. With this new capability, VULCAN has become the first diffractometer at SNS capable of performing polarized neutron experiments, opening new opportunities to study a wider range of magnetism-related material behaviors under varied thermal, mechanical, electrical, and/or magnetic fields.

Fu, Sichao [ORNL] (ORCID:0009000846771640)↗
DOE OSTI2024

Quantifying Memory in Spin Glasses

Rejuvenation and memory, long considered the distinguishing features of spin glasses, have recently been proven to result from the growth of multiple length scales. This insight, enabled by simulations on the Janus II supercomputer, has opened the door to a quantitative analysis. We combine numerical simulations with comparable experiments to introduce two coefficients that quantify memory. A third coefficient has been recently presented by Freedberg et al. Here, we show that these coefficients are physically equivalent by studying their temperature and waiting-time dependence.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Voltage-induced magnetic domain evolution in a phase-change material

Applying voltage to metal–insulator transition (MIT) materials allows electrical actuation of the local electronic phase state. In MIT systems that have the electronic order coupled with the magnetic order, voltage switching of the electronic phase state can also enable the electrical manipulation of magnetic properties. In this work, we utilized x-ray magnetic circular dichroism photoemission electron microscopy (XMCD-PEEM) to investigate the control of magnetic domain configurations in ferromagnetic MIT electrical switches. For applied voltages above a threshold value, the XMCD-PEEM images show that the magnetic domains separate into two distinct regions: one with a high contrast (white/black), indicating well-defined micrometer-scale magnetic domains with a component of their magnetization aligned parallel/antiparallel to the x-ray helicity, and the other with different shades of intermediate contrast (gray). Significant changes in magnetic domain configurations upon voltage biasing were only observed in these gray regions. Furthermore, the voltage-induced magnetic domain separation was found to be bias polarity-dependent, with the gray regions expanding from the opposite sample edge when the applied voltage polarity was reversed. This polarity-dependent electrical control of magnetic domain configurations during the MIT switching opens alternative opportunities in memory applications for magnetic MIT switching materials.

42 ENGINEERING↗
DOE OSTI2025

Field-free switching of perpendicular magnetization in a ferrimagnetic insulator with spin reorientation transition

Writing magnetic bits through spin-orbit torque (SOT) switching is promising for fast and efficient magnetic random-access memory devices. While SOT switching of out-of-plane (OOP) magnetized states requires lateral symmetry breaking, in-plane (IP) magnetized states suffer from low storage density. Here, we demonstrate a field-free switching scheme using a 5-nanometer europium iron garnet film grown with a (110) orientation that shows a spin reorientation transition from OOP to IP above room temperature. This scheme combines the benefits of high-density storage in the OOP states at room temperature and the efficient field-free SOT switching in the IP states at elevated temperatures. While conventional switching of OOP bits faces the dilemma that high OOP anisotropy is required to improve bit stability and low OOP anisotropy is required to lower switching current density, this scheme disentangles this interdependence, allowing for low switching currents to be possible without sacrificing the bit stability, offering opportunities for future memory devices.

Science & Technology - Other Topics↗