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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Tuning the spin dynamics and magnetic phase transitions of the Cantor alloy via composition and sample processing protocols: A muon spin relaxation study

CrMnFeCoNi, also called the Cantor alloy, is a well-known high-entropy alloy whose magnetic properties have recently become a focus of attention. Here, we present a detailed muon spin relaxation study of the influence of chemical composition and sample processing protocols on the magnetic phase transitions and spin dynamics of several different Cantor alloy samples. Specific samples studied include a pristine equiatomic sample, samples with deficient and excess Mn content, and equiatomic samples magnetized in a field of 9 T or plastically deformed in pressures up to 0.5 GPa. The results confirm the sensitive dependence of the transition temperature on composition and demonstrate that post-synthesis pressure treatments cause the transition to become significantly less homogeneous throughout the sample volume. In addition, we observe critical spin dynamics in the vicinity of the transition in all samples, reminiscent of canonical spin glasses and magnetic materials with ideal continuous phase transitions. Application of an external magnetic field suppresses the critical dynamics in the Mn-deficient sample, while the equiatomic and Mn-rich samples show more robust critical dynamics. The spin-flip thermal activation energy in the paramagnetic phase increases with Mn content, ranging from 3.1⁢(3) × 10 -21 J for 0% Mn to 1.2⁢(2) × 10 -20 J for 30% Mn content. These results shed light on critical magnetic behavior in environments of extreme chemical disorder and demonstrate the tunability of spin dynamics in the Cantor alloy via chemical composition and sample processing.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Magnetic nanopantograph in the SrCu 2 (BO 3 ) 2 Shastry–Sutherland lattice

Magnetic materials having competing, i.e., frustrated, interactions can display magnetism prolific in intricate structures, discrete jumps, plateaus, and exotic spin states with increasing applied magnetic fields. When the associated elastic energy cost is not too expensive, this high potential can be enhanced by the existence of an omnipresent magnetoelastic coupling. Here in this work, we report experimental and theoretical evidence of a nonnegligible magnetoelastic coupling in one of these fascinating materials, SrCu 2 (BO 3 ) 2 (SCBO). First, using pulsed-field transversal and longitudinal magnetostriction measurements we show that its physical dimensions, indeed, mimic closely its unusually rich field-induced magnetism. Second, using density functional-based calculations we find that the driving force behind the magnetoelastic coupling is the CuOCuˆ superexchange angle that, due to the orthogonal Cu 2+ dimers acting as pantographs, can shrink significantly (0.44%) with minute (0.01%) variations in the lattice parameters. Lastly, with this original approach we also find a reduction of ~10% in the intradimer exchange integral J, enough to make predictions for the highly magnetized states and the effects of applied pressure on SCBO.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Embedded random phase approximation for magnetic systems: H 2 dissociative adsorption on Fe(110)

The random phase approximation (RPA), a method for treating electron correlation, has been shown to be superior to standard density functional theory (DFT) approximations in numerous cases. However, the RPA’s computational cost is substantially higher than that of DFT, particularly restricting its application to extended surfaces. The recently introduced embedded RPA (emb-RPA) approach [Wei et al., J. Chem. Phys. 159(19), 194108 (2023)] reduces this computational cost by approximately two orders of magnitude. While previous applications of emb-RPA focused on non-spin-polarized systems, here we extend the approach to ferromagnetic ones. Unlike other embedded correlated wavefunction methods, such as embedded complete active space self-consistent field theory, emb-RPA is advantageous for spin-polarized systems because the RPA is compatible with unrestricted DFT solutions, which are eigenfunctions of the spin angular momentum operator S z but not the total spin-squared operator S 2 . By applying emb-RPA with specific magnetization constraints, we achieved a speedup of two to three orders of magnitude (one order when accounting for the one-time embedding potential optimization cost) with only small errors (∼50 meV) compared to full periodic RPA. Moreover, emb-RPA significantly reduces the over-binding errors of DFT approximations. In conclusion, we anticipate that the acceleration enabled by the spin-polarized emb-RPA approach will broaden the applicability of RPA to magnetic materials.

Density functional theory↗
DOE OSTI2018

Emergent chirality in the electric polarization texture of titanate superlattices

Significance Many natural structures exhibit chirality that is essential to their functional interactions, yet the chiral electronic structures found in condensed matter systems have been primarily limited to magnetic materials. Notably, the electric dipole equivalent of magnetic skyrmions has remained conspicuously elusive. However, recent theoretical predictions and experimental observations of the continuous rotation of electric polarization in titanate superlattices suggests that such complex oxide nanocomposites are ideal candidates for realizing chiral electric dipole configurations. Here we present the results from superlattices of PbTiO 3 and SrTiO 3 using a combination of resonant soft X-ray diffraction and second-principles simulations. We observe chiral arrays of polar line defects, spontaneously formed by the complex interactions in these artificial superlattices constructed from two nonchiral lattices.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Anisotropic magnetic properties of the triangular plane lattice material TmMgGaO4

Highlights: • TmMgGaO{sub 4} crystallizes in the R-3m space group with the YbFe{sub 2}O{sub 4} structure. • TmMgGaO{sub 4} exhibits geometric magnetic frustration with no ordering down to 1.8 K. • Magnetic properties of TmMgGaO{sub 4} are highly anisotropic. - Abstract: The crystal growth, structure, and basic magnetic properties of TmMgGaO{sub 4} are reported. The Tm ions are located in a planar triangular lattice consisting of distorted TmO{sub 6} octahedra, while the Mg and Ga atoms randomly occupy intermediary bilayers of M-O triangular bipyramids. The Tm ions are positionally disordered. The material displays an antiferromagnetic Curie Weiss theta of ∼−20 −25 K, with no clear ordering visible in the magnetic susceptibility down to 1.8 K; the structure and magnetic properties suggest that ordering of the magnetic moments is frustrated by both structural disorder and the triangular magnetic motif. Single crystal magnetization measurements indicate that the magnetic properties are highly anisotropic, with large moments measured perpendicular to the triangular planes. At 2 K, a broad step-like feature is seen in the field-dependent magnetization perpendicular to the plane on applied field near 2 T.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Magnetostrictive materials for enhanced sensors and electronic components

Magnetostriction is a property of magnetic materials that causes them to change their shape or dimensions when their magnetization changes. Low-cost, mechanically robust magnetostrictive sensors would be valuable for a wide range of applications addressing DOE's energy, environmental, and national security missions. Several examples include monitoring internal conditions of pipelines, enhancing implantable systems for the human body, and improving the electrical grid by providing real time sensors for detecting high impedance faults that may act as ignition sources for forest fires. Historically, magnetostrictive materials tended to be expensive and mechanically brittle, but recent developments in iron-based alloys, especially those that include dilute solutions of rare earth elements, have demonstrated useful magnetostriction values, mechanical robustness, and low costs. This project investigated addition of dilute cerium doping on the magnetostrictive properties of Fe-Ga and Fe-Al alloys. Advanced manufacturing techniques were applied to these materials to take advantage of rapid cooling of the alloy to stabilize desired phases and to make near net shape coupons. These coupons develop significant texturing, offering a route to target microstructures with exceptional performance.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Low-frequency and Moiré–Floquet engineering: A review

Highlights: • Review of theoretical and experimental advances in Floquet engineering. • Review of theories to derive effective Floquet Hamiltonians, with a focus on the low-frequency regime. • Review of the theoretical effects of light in Moiré materials. We review recent work on low-frequency Floquet engineering and its application to quantum materials driven by light, focusing on van der Waals systems hosting Moiré superlattices. These non-equilibrium systems combine the twist-angle sensitivity of the band structure with the flexibility of light drives. The frequency, amplitude, and polarization of light can be tuned in experimental setups, leading to platforms with on-demand properties. First, we review recent theoretical developments to derive effective Floquet Hamiltonians, emphasizing the low-frequency regime. We then review applications of some of these theories to study twisted graphene and transition metal dichalcogenide systems irradiated by light in free space and inside a waveguide. We study the changes induced in the quasienergies and steady-states, which can lead to topological transitions. Next, we consider van der Waals magnetic materials driven by low-frequency light pulses in resonance with the phonons. We discuss the phonon dynamics induced by the light and the resulting magnetic transitions from a Floquet perspective. We finish by outlining new directions for Moiré–Floquet engineering in the low-frequency regime and their relevance for technological applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Designing Spin‐Crossover Systems to Enhance Thermopower and Thermoelectric Figure‐of‐Merit in Paramagnetic Materials

Thermoelectric materials, capable of converting temperature gradients into electrical power, have been traditionally limited by a trade‐off between thermopower and electrical conductivity. This study introduces a novel, broadly applicable approach that enhances both the spin‐driven thermopower and the thermoelectric figure‐of‐merit (zT) without compromising electrical conductivity, using temperature‐driven spin crossover. Our approach, supported by both theoretical and experimental evidence, is demonstrated through a case study of chromium doped‐manganese telluride, but is not confined to this material and can be extended to other magnetic materials. By introducing dopants to create a high crystal field and exploiting the entropy changes associated with temperature‐driven spin crossover, we achieved a significant increase in thermopower, by approximately 136 μV K −1 , representing more than a 200% enhancement at elevated temperatures within the paramagnetic domain. Our exploration of the bipolar semiconducting nature of these materials reveals that suppressing bipolar magnon/paramagnon‐drag thermopower is key to understanding and utilizing spin crossover‐driven thermopower. These findings, validated by inelastic neutron scattering, X‐ray photoemission spectroscopy, thermal transport, and energy conversion measurements, shed light on crucial material design parameters. We provide a comprehensive framework that analyzes the interplay between spin entropy, hopping transport, and magnon/paramagnon lifetimes, paving the way for the development of high‐performance spin‐driven thermoelectric materials.

magnons↗
DOE OSTI2025

Discovery of a Ferromagnetic Nickel Chalcogenide Nanocluster Ni 3 S 3 H(PEt 3 ) 5

Atomically precise ligated nanoclusters (NC) are promising cluster-based materials with novel molecular architectures and tunable magnetic properties. Herein, the synthesis and characterization of a nickel sulfide NC Ni 3 S 3 H(PEt 3 ) 5 (PEt 3 = triethylphosphine) with distinct magnetic properties are reported. Magnetization measurements reveal its magnetic moment of 1.5 µ B in the solid phase, consistent with the existence of one unpaired electron predicted by density functional theory (DFT) calculations. Additionally, experimental measurements indicate the presence of ferromagnetic ordering within each Ni 3 S 3 H(PEt 3 ) 5 NC and strong coercivity at temperatures below 20 K. Ion mobility-mass spectrometry is employed in conjunction with DFT calculations and collision cross-section simulations to investigate the structure of the isolated Ni 3 S 3 H(PEt 3 ) 5 . Theoretical studies show that [Ni 3 S 3 H(PEt 3 ) 5 ] + has a planar Ni 3 S 3 core where three Ni atoms are arranged in a triangle with three bridging S atoms residing in the same plane. This structure is preserved in both solution and solid phases, which is confirmed by spectroscopic studies of Ni 3 S 3 H(PEt 3 ) 5 . Additionally, DFT calculations indicate that all spins at the Ni sites are aligned parallel, confirming the presence of ferromagnetic coupling. Overall, this study provides key insights into the structure and magnetic properties of Ni 3 S 3 H(PEt 3 ) 5 , which will facilitate the design of new NC-based magnetic materials.

Nickel sulfide nanocluster↗
DOE OSTI2023

Nonvolatile Memristive Effect in Few-Layer CrI 3 Driven by Electrostatic Gating

The potential of memristive devices for applications in nonvolatile memory and neuromorphic computing has sparked considerable interest, particularly in exploring memristive effects in two-dimensional (2D) magnetic materials. However, the progress in developing nonvolatile, magnetic field-free memristive devices using 2D magnets has been limited. In this work, we report an electrostatic-gating-induced nonvolatile memristive effect in CrI 3 -based tunnel junctions. The few-layer CrI 3 -based tunnel junction manifests notable hysteresis in its tunneling resistance as a function of gate voltage. We further engineered a nonvolatile memristor using the CrI 3 tunneling junction with low writing power and at zero magnetic field. We show that the hysteretic transport observed is not a result of trivial effects or inherent magnetic properties of CrI 3 . We propose a potential association between the memristive effect and the newly predicted ferroelectricity in CrI 3 via gating-induced Jahn–Teller distortion. Furthermore, our work illuminates the potential of 2D magnets in developing next-generation advanced computing technologies.

2D magnet↗
DOE OSTI2019

Creation of nanoscale magnetic fields using nano-magnet arrays

In this paper, we present the fabrication of nano-magnet arrays, comprised of two sets of interleaving SmCo 5 and Co nano-magnets, and the subsequent development and implementation of a protocol to program the array to create a one-dimensional rotating magnetic field. We designed the array based on the microstructural and magnetic properties of SmCo 5 films annealed under different conditions, also presented here. Leveraging the extremely high contrast in coercivity between SmCo 5 and Co, we applied a sequence of external magnetic fields to program the nano-magnet arrays into a configuration with alternating polarization, which based on simulations creates a rotating magnetic field in the vicinity of nano-magnets. Our proof-of-concept demonstration shows that complex, nanoscale magnetic fields can be synthesized through coercivity contrast of constituent magnetic materials and carefully designed sequences of programming magnetic fields.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

An inverse Ruddlesden-Popper nitride Ca 7 (Li 1–x Fe x )Te 2 N 2 grown from Ca flux

Nitridoferrates containing monovalent iron ions are a class of materials of recent interest as potentially novel magnetic materials. Aiming at the exploration of nitridoferrates of calcium, we report the single crystal growth from Ca flux and crystal structure of the first member ( n = 2) of a series of inverse Ruddlesden-Popper nitrides with a general formula of A n–1 A' 2 B n X 3 n +1 , where A = Li/Fe, A' = Te, B = N, and X = Ca. Single crystal X-ray diffraction analyses indicate the crystal with a composition of Ca 7 (Li 0.32(1) Fe 0.68(1) )Te 2 N 2 and the tetragonal space group I 4/mmm (a = 4.7884(1) Å, c = 25.3723(4) Å, Z = 2). The structure features alternately stacking NaCl-type A'X slabs and the perovskite-type ABX 3 slabs along the c axis. The Li/Fe atoms are located in cuboctahedral cavities surrounded by eight Ca 6 N octahedra in the ABX 3 slab. As a result, this work demonstrates the viability of the Ca-rich flux as a suitable solvent for the exploration of new complex nitrides with interesting crystal structure and properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Low-temperature spin Seebeck effect in nonmagnetic vanadium dioxide

The spin Seebeck effect (SSE) is sensitive to thermally driven magnetic excitations in magnetic insulators. Vanadium dioxide in its insulating low-temperature phase is expected to lack magnetic degrees of freedom, as vanadium atoms are thought to form singlets upon dimerization of the vanadium chains. Instead, we find a paramagnetic SSE response in V⁢O 2 films that grows as the temperature decreases below 50 K. The field and temperature-dependent SSE voltage is qualitatively consistent with a general model of paramagnetic SSE response and inconsistent with triplet spin transport. Quantitative estimates find a spin Seebeck coefficient comparable in magnitude to that observed in strongly magnetic materials. Finally, the microscopic nature of the magnetic excitations in V⁢O 2 requires further examination.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

VTO 2022 Annual Progress Report: Vertical GaN Device Development

This project is part of a multi-lab consortium that leverages U.S. research expertise and facilities at national labs and universities to significantly advance electric drive power density and reliability, while simultaneously reducing cost. The final objective of the consortium is to develop a 100 kW traction drive system that achieves 33 kW/L, has an operational life of 300,000 miles, and a cost of less than $\$$6/kW. One element of the system is a 100 kW inverter with a power density of 100 kW/L and a cost of $\$$2.7/kW. New materials such as wide bandgap semiconductors, soft magnetic materials, and ceramic dielectrics, integrated using multi-objective co optimization design techniques, will be utilized to achieve these program goals. This project focuses on a subset of the power electronics work within the consortium, specifically the design, fabrication, and evaluation of vertical GaN power devices suitable for automotive applications.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1995

Imaging Magnetometer

Imaging magnetometer proposed for scientific, industrial, or military use in detecting underground structures containing magnetic materials and underground machines generating and/or altering magnetic fields. Includes electron-beam tube integrated with phosphor-coated charge-coupled device (CCD). Images formed by magnetic deflection of electron beam. Locations, magnitudes, and directions of identifiable features of magnetic field examined to extract data on locations, sizes, and types of magnetically detected objects.

Moynihan, Philip I.↗
DOE OSTI2016

All-electric spin modulator based on a two-dimensional topological insulator

We propose and investigate a spin modulator device consisting of two ferromagnetic leads connected by a two-dimensional topological insulator as the channel material. It exploits the unique features of the topological spin-helical edge states, such that the injected carriers with a non-collinear spin-polarization direction would travel through both edges and show interference effect. The conductance of the device can be controlled in a simple and all-electric manner by a side-gate voltage, which effectively rotates the spin-polarization of the carrier. At low voltages, the rotation angle is linear in the gate voltage, and the device can function as a good spin-polarization rotator by replacing the drain electrode with a non-magnetic material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Electromagnetic absorption properties of graphene/Fe nanocomposites

Graphical abstract: - Highlights: • Graphene/Fe nanocomposites were prepared by a facile and green method. • 10 nm Fe nanoparticles were uniformly dispersed over the surface of the graphene sheets. • The nanocomposites exhibited strong electromagnetic wave absorption properties. - Abstract: Graphene (G)/Fe nanocomposites with ferromagnetic properties at room temperature were fabricated by a facile and green method. Transmission electron microscope (TEM) and atomic force microscopy (AFM) amylases reveal that the α-Fe nanoparticles with a diameter of only about 10 nm were uniformly dispersed over the surface of the graphene sheets. Compared with other magnetic materials and the graphene, the nanocomposites exhibited significantly enhanced electromagnetic absorption properties. The maximum reflection loss to electromagnetic wave was up to −31.5 dB at a frequency of 14.2 GHz for G/Fe nanocomposites with a thickness of 2.5 mm. Importantly, the addition of the nanocomposites is only about 20 wt.% in the matrix. The enhanced mechanism is discussed and it is related to high surface areas of G/Fe nanocomposites, interfacial polarizations between graphene and iron, synergetic effect and efficient dispersity of magnetic NPs.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Compact AC susceptometer for fast sample characterization down to 0.1 K

We report a new design of an AC magnetic susceptometer compatible with the Physical Properties Measurement System (PPMS) by Quantum Design, as well as with its adiabatic demagnetization refrigerator option. With the elaborate compact design, the susceptometer allows simple and quick sample mounting process. The high performance of the susceptometer down to 0.1 K is demonstrated using several superconducting and magnetic materials. This susceptometer provides a method to quickly investigate qualities of a large number of samples in the wide temperature range between 0.1 and 300 K.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗