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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Low dimensional magnetism in MnNb{sub 2−x}V{sub x}O{sub 6}

Highlights: • Magnetic structure is reported from neutron diffraction. • We examine changes of Néel temperature versus V content. • Composition dependence of intra and inter chain exchange parameters are determined. • The temperature dependence of the Mn magnetic moment is determined for MnNb{sub 1.9}V{sub 0.1}O{sub 6}. - Abstract: The structural and magnetic properties of MnNb{sub 2−x}V{sub x}O{sub 6} samples were studied. These materials belong to the AB{sub 2}O{sub 6} class, which presents low-dimensional magnetism. Curie-Weiss fitting gives a negative Weiss temperature that is a characteristic of dominant antiferromagnetic interactions in paramagnetic region. Rietveld refinements of neutron diffraction data show that magnetic moments are aligned antiferromagnetically within the zig-zag chains running along the c axis. Unlike other ANb{sub 2}O{sub 6} type systems crystallizing also in Pbcn space group and presenting ferromagnetic Ising chains, MnNb{sub 2−x}V{sub x}O{sub 6} samples exhibit antiferromagnetic type order along the chains. At 1.5 K, the Mn atoms are found to carry an ordered magnetic moment of about 4.3 μ{sub B}. The Mn chains are antiferromagnetic and do not present significant anisotropy. These characteristics and the high spin allowed us to model the system as weakly interacting classical Heisenberg chains, estimating the values of both intra- and interchain exchange constants evolution with x content.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spin structure and dynamics of the topological semimetal Co 3 Sn 2-x In x S 2

The anomalous Hall effect (AHE), typically observed in ferromagnetic (FM) metals with broken time-reversal symmetry, depends on electronic and magnetic properties. In Co 3 Sn 2-x In x S 2 , a giant AHE has been attributed to Berry curvature associated with the FM Weyl semimetal phase, yet recent studies report complicated magnetism. We use neutron scattering to determine the spin dynamics and structures as a function of x and provide a microscopic understanding of the AHE and magnetism interplay. Spin gap and stiffness indicate a contribution from Weyl fermions consistent with the AHE. The magnetic structure evolves from c-axis ferromagnetism at x = 0 to a canted antiferromagnetic (AFM) structure with reduced c-axis moment and in-plane AFM order at x = 0.12 and further reduced c-axis FM moment at x = 0.3. Since noncollinear spins can induce non-zero Berry curvature in real space acting as a fictitious magnetic field, our results revealed another AHE contribution, establishing the impact of magnetism on transport.

36 MATERIALS SCIENCE↗
DOE OSTI2015

W-band EPR studies of high-spin nitrenes with large spin-orbit contribution to zero-field splitting

First W-band 94 GHz EPR spectra of randomly oriented triplet, quintet, and septet nitrenes formed during the photolysis of 1,3,5-triazido-2,4,6-tribromobenzene in cryogenic matrices are reported. In comparison with conventional X-band 9 GHz electron paramagnetic resonance (EPR) spectroscopy, W-band EPR spectroscopy allows the detection and complete spectroscopic characterization of all paramagnetic species formed at different stages of the photolysis of aromatic polyazides. This type of spectroscopy is of paramount importance for experimental determination of the sign of the zero-field splitting (ZFS) parameters of high-spin molecules with large spin-orbit contribution to the ZFS, caused by the effect of heavy atoms. The study shows that triplet 1,3-diazido-2,4,6-tribromo-5-nitrenobenzene (T1) has D{sub T} = 1.369 cm{sup −1}, E{sub T} = 0.093 cm{sup −1}, and g = 2.0033, quintet 1-azido-2,4,6-tribromo-3,5-dinitrenobenzene (Q1) shows D{sub Q} = − 0.306 cm{sup −1}, E{sub Q} = 0.0137 cm{sup −1}, and g = 2.0070, and septet 2,4,6-tribromo-1,3,5-trinitrenobenzene (S1) has D{sub S} = − 0.203 cm{sup −1}, E{sub S} = 0, and g = 2.0073. The experimental ZFS parameters agree well with the results of density functional theory calculations at the PBE/Ahlrichs-DZ level of theory, showing that such calculations adequately describe the magnetic properties of bromine-containing high-spin nitrenes. Both experimental and theoretical data indicate that, in contrast to all known to date quintet dinitrenes, dinitrene Q1 has the negative sign of magnetic anisotropy due to the “heavy atom effect.” This dinitrene along with septet trinitrene S1 possess the largest negative value of D among all known quintet and septet organic polyradicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

First-Principles Calculations to Investigate the Structural, Electronic, and Half-Metallic Properties of Ti{sub 2}RhSn{sub 1-x}Si{sub x}, Ti{sub 2}RhSn{sub 1-x}Ge{sub x}, and Ti{sub 2}RhGe{sub 1-x}Si{sub x} (x = 0, 0.25, 0.5, 0.75, and 1) Quaternary Heusler Alloys

The structural, electronic, and magnetic properties of Ti{sub 2}RhSn{sub 1-x}Si{sub x}, Ti{sub 2}RhSn{sub 1-x}Ge{sub x}, and Ti{sub 2}RhGe{sub 1-x}Si{sub x} (x = 0, 0.25, 0.5, 0.75, and 1) quaternary Heusler alloys have been investigated using first-principles density functional theory within generalized gradient approximation (GGA) and local spin-density approximation with Hubbard-U corrections (LSDA+U). The calculations have been performed using the full-potential linearized augmented Plane wave plus local orbitals method. The crystal structures of Ti{sub 2}RhSn{sub 1-x}Si{sub x}, Ti{sub 2}RhSn{sub 1-x}Ge{sub x}, and Ti{sub 2}RhGe{sub 1-x}Si{sub x} were found to be cubic in (F-43m) symmetry for x = 0, 1 and cubic in (P-43m) symmetry for x = 0.25, 0.75, while tetragonal in (P-4m2) symmetry for x = 0.5. The results show that all Ti{sub 2}RhSn1-xSix, Ti{sub 2}RhGe{sub 0.75}Si{sub 0.25}, and Ti{sub 2}RhGe alloys are half-metallic ferrimagnetic. These new materials are good candidates for potential applications in spintronic.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Binder-free cold spray deposition of NdFeB permanent magnets

Cold spray deposition is employed to manufacture binder-free Nd 2 Fe 14 B permanent magnets. Millimeter thick deposits can be fabricated in seconds on substrates such as glass or copper. The Nd 2 Fe 14 B particles appear to partially embed in the substrate and interlock with one another, building up a dense layer that is consolidated by subsequent impacts. The impact and subsequent heating of the particles leads to formation of a magnetically soft phase that significantly reduces coercivity, X-ray diffraction identifies it as Fe. Furthermore, this can be mitigated by reducing gas velocity and temperature, leading to a partial retention of magnetic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2016

OBSERVATIONS OF A SERIES OF FLARES AND ASSOCIATED JET-LIKE ERUPTIONS DRIVEN BY THE EMERGENCE OF TWISTED MAGNETIC FIELDS

We studied temporal changes of morphological and magnetic properties of a succession of four confined flares followed by an eruptive flare using the high-resolution New Solar Telescope (NST) operating at the Big Bear Solar Observatory (BBSO) and Helioseismic and Magnetic Imager (HMI) magnetograms and Atmospheric Image Assembly (AIA) EUV images provided by the Solar Dynamics Observatory (SDO). From the NST/Hα and the SDO/AIA 304 Å observations we found that each flare developed a jet structure that evolved in a manner similar to evolution of the blowout jet: (1) an inverted-Y-shaped jet appeared and drifted away from its initial position; (2) jets formed a curtain-like structure that consisted of many fine threads accompanied by subsequent brightenings near the footpoints of the fine threads; and finally, (3) the jet showed a twisted structure visible near the flare maximum. Analysis of the HMI data showed that both the negative magnetic flux and the magnetic helicity have been gradually increasing in the positive-polarity region, indicating the continuous injection of magnetic twist before and during the series of flares. Based on these results, we suggest that the continuous emergence of twisted magnetic flux played an important role in producing successive flares and developing a series of blowout jets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Self-Assembled TiN-Metal Nanocomposites Integrated on Flexible Mica Substrates towards Flexible Devices

The integration of nanocomposite thin films with combined multifunctionalities on flexible substrates is desired for flexible device design and applications. For example, combined plasmonic and magnetic properties could lead to unique optical switchable magnetic devices and sensors. In this work, a multiphase TiN-Au-Ni nanocomposite system with core–shell-like Au-Ni nanopillars embedded in a TiN matrix has been demonstrated on flexible mica substrates. The three-phase nanocomposite film has been compared with its single metal nanocomposite counterparts, i.e., TiN-Au and TiN-Ni. Magnetic measurement results suggest that both TiN-Au-Ni/mica and TiN-Ni/mica present room-temperature ferromagnetic property. Tunable plasmonic property has been achieved by varying the metallic component of the nanocomposite films. The cyclic bending test was performed to verify the property reliability of the flexible nanocomposite thin films upon bending. This work opens a new path for integrating complex nitride-based nanocomposite designs on mica towards multifunctional flexible nanodevice applications.

42 ENGINEERING↗
DOE OSTI2021

Tuning the room temperature ferromagnetism in Fe 5 GeTe 2 by arsenic substitution

In order to tune the magnetic properties of the cleavable high-Curie temperature ferromagnet Fe$_{5-x}$GeTe 2 , the effect of increasing the electron count through arsenic substitution has been investigated. Small additions of arsenic (2.5% and 5%) seemingly enhance ferromagnetic order in polycrystalline samples by quenching fluctuations on one of the three magnetic sublattices, whereas larger As concentrations decrease the ferromagnetic Curie temperature (T C ) and saturation magnetization. Furthermore, this work also describes the growth and characterization of Fe 4.8 AsTe 2 single crystals that are structurally analogous to Fe$_{5-x}$GeTe 2 but with some phase stability complications. Magnetization measurements reveal dominant antiferromagnetic behavior in Fe 4.8 AsTe 2 with a Néel temperature of $T_{\textrm{N}} \approx$ 42 K. A field-induced spin-flop below T N results in a switch from negative to positive magnetoresistance, with significant hysteresis causing butterfly-shaped resistance loops. In addition to reporting the properties of Fe 4.8 AsTe 2 , this work shows the importance of manipulating the individual magnetic sublattices in Fe$_{5-x}$GeTe 2 and motivates further efforts to control the magnetic properties in related materials by fine tuning of the Fermi energy or crystal chemistry.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Syntheses, structures, and properties of Co(II)/Zn(II) mixed-ligand coordination polymers based on 4-[(3,5-dinitrobenzoyl)amino]benzoic acid and 1,4-bis(1-imidazolyl) benzene

Two coordination polymers [Co(dnbab){sub 2}(bimb)](H{sub 2}O){sub 4} (1) and [Zn(dnbab){sub 2}(bimb)](H{sub 2}O){sub 5} (2) (Hdnbab=4-[(3,5-dinitrobenzoyl)amino]benzoic acid, bimb=1,4-bis(1-imidazolyl) benzene) have been solvothermally synthesized. Their structures have been determined by single-crystal X-ray diffraction analyses and further characterized by powder X-ray diffraction (PXRD) and thermogravimetric (TG) analyses. Complexes 1 and 2 are isostructures and each displays an one-dimensional (1D) zigzag chain, which further forms a 3D supramolecular architecture with 1-D channels via inter-chain π–π interactions and hydrogen bonds. Moreover, the magnetic properties of 1 and fluorescent properties of 2 have been investigated. - Graphical abstract: Two coordination supramolecular frameworks [Co(dnbab){sub 2}(bimb)](H{sub 2}O){sub 4}(1) and [Zn(dnbab){sub 2}(bimb)](H{sub 2}O){sub 5}(2) (Hdnbab=4-[(3,5-dinitrobenzoyl)amino]benzoic acid, bimb=1,4-bis(1-imidazolyl) benzene) have been synthesized and characterized by X-ray single-crystal diffraction. Their thermal, magnetic and fluorescent properties have also been studied. - Highlights: • Two isomorphic Co(II)/Zn(II) complexes with the mixed-ligands have been synthesized. • Hydrogen bonds and π–π stacking interactions directed the final 3-D architecture assembly. • Both Co(II) and Zn(II) complexes show good thermal stability. • Co complex exhibits antiferromagnetic interaction. • The fluorescent property of Zn(II) complex has been investigated in the solid state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Magnetic and photocatalytic properties of bismuth doped KNbO3 microrods

Highlights: • K{sub 1-x}Bi{sub x}NbO{sub 3} microrods were prepared by solid state reaction method. • Structural information confirms orthorhombic structure of K{sub 1-x}Bi{sub x}NbO{sub 3}. • Band gap of KNbO{sub 3} was varied between 3.13 and 2.95 eV by Bi doping. • Magnetic property of KNbO{sub 3} microrods effectively modified by Bi doping. • Bi doping considerably enhances the degradation of methyl orange dye. - Abstract: The effect of bismuth doping on the structural, magnetic and photocatalytic properties of K{sub 1-x}Bi{sub x}NbO{sub 3} (x = 0.0, 0.01, 0.03, 0.05 and 0.07 mol.%) microrods were studied. X-ray diffraction, Fourier transform infrared and Raman studies revealed the orthorhombic system of KNbO{sub 3}. The scanning electron microscopy images display the nearly rod shape crystallites of K{sub 1-x}Bi{sub x}NbO{sub 3.} The UV–vis diffuse reflectance spectral result showed that the band gap varying between 3.13 and 2.95 eV. Photoluminescence spectra showed that the emission peaks in the visible region between 459 and 544 nm, which are mainly attributed to the oxygen vacancy present in the K{sub 1-x}Bi{sub x}NbO{sub 3} sample. Vibrating sample magnetometer analysis revealed diamagnetic behavior of Bi doped KNbO{sub 3} samples. The BET surface area of K{sub 1-x}Bi{sub x}NbO{sub 3} microrods varies between 9.54 and 14.48 m{sup 2}g{sup −1}. The rate constant of methyl orange degradation with Bi doped samples is about 2 (x = 0.05) and 2.25 (x = 0.07) times faster when compared with that of undoped KNbO{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Element-Specific Study of Magnetic Anisotropy and Hardening in SmCo 5– x Cu x Thin Films

This work investigates the effect of copper substitution on the magnetic properties of SmCo 5 thin films synthesized by molecular beam epitaxy. A series of thin films with varying concentrations of Cu were grown under otherwise identical conditions to disentangle structural and compositional effects on the magnetic behavior. The combined experimental and theoretical studies show that Cu substitution at the Co 3g sites not only stabilizes the formation of the SmCo 5 structure but also enhances magnetic anisotropy and coercivity. Density functional theory calculations indicate that Sm(Co 4 Cu 3g ) 5 possesses a higher single-ion anisotropy as compared to pure SmCo 5 . In addition, X-ray magnetic circular dichroism reveals that Cu substitution causes an increasing decoupling of the Sm 4f and Co 3d moments. Scanning transmission electron microscopy confirms predominantly SmCo 5 phase formation and reveals nanoscale inhomogeneities in the Cu and Co distribution. Our study based on thin film model systems and advanced characterization as well as modeling reveals novel aspects of the complex interplay of intrinsic and extrinsic contributions to magnetic hysteresis in rare-earth-based magnets, i.e., the combination of increased intrinsic anisotropy due to Cu substitution and the extrinsic effect of inhomogeneous elemental distribution of Cu and Co.

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

The northeast materials database for magnetic materials

The discovery of magnetic materials with high operating temperature ranges and optimized performance is essential for advanced applications. Current data-driven approaches are limited by the lack of accurate, comprehensive, and feature-rich databases. This study aims to address this challenge by using Large Language Models (LLMs) to create a comprehensive, experiment-based, magnetic materials database named the Northeast Materials Database (NEMAD), which consists of 67,573 magnetic materials entries (www.nemad.org). The database incorporates chemical composition, magnetic phase transition temperatures, structural details, and magnetic properties. Enabled by NEMAD, we trained machine learning models to classify materials and predict transition temperatures. Our classification model achieved an accuracy of 90% in categorizing materials as ferromagnetic (FM), antiferromagnetic (AFM), and non-magnetic (NM). The regression models predict Curie (Néel) temperature with a coefficient of determination (R 2 ) of 0.87 (0.83) and a mean absolute error (MAE) of 56K (38K). These models identified 25 (13) FM (AFM) candidates with a predicted Curie (Néel) temperature above 500K (100K) from the Materials Project. This work shows the feasibility of combining LLMs for automated data extraction and machine learning models to accelerate the discovery of magnetic materials.

Ferromagnetism↗
DOE OSTI2015

Toward broad-band x-ray detected ferromagnetic resonance in longitudinal geometry

An ultrahigh-vacuum-compatible setup for broad-band X-ray detected ferromagnetic resonance (XFMR) in longitudinal geometry is introduced which relies on a low-power, continuous-wave excitation of the ferromagnetic sample. A simultaneous detection of the conventional ferromagnetic resonance via measuring the reflected microwave power and the XFMR signal of the X-ray absorption is possible. First experiments on the Fe and Co L{sub 3}-edges of a permalloy film covered with Co nanostripes as well as the Fe and Ni K-edges of a permalloy film are presented and discussed. Two different XFMR signals are found, one of which is independent of the photon energy and therefore does not provide element-selective information. The other much weaker signal is element-selective, and the dynamic magnetic properties could be detected for Fe and Co separately. The dependence of the latter XFMR signal on the photon helicity of the synchrotron light is found to be distinct from the usual x-ray magnetic circular dichroism effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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

Confinement of magnetism in atomically thin La0.7Sr0.3CrO3/La0.7Sr0.3MnO3 heterostructures

Abstract At crystalline interfaces where a valence-mismatch exists, electronic, and structural interactions may occur to relieve the polar mismatch, leading to the stabilization of non-bulk-like phases. We show that spontaneous reconstructions at polar La 0.7 Sr 0.3 MnO 3 interfaces are correlated with suppressed ferromagnetism for film thicknesses on the order of a unit cell. We investigate the structural and magnetic properties of valence-matched La 0.7 Sr 0.3 CrO 3 /La 0.7 Sr 0.3 MnO 3 interfaces using a combination of high-resolution electron microscopy, first principles theory, synchrotron X-ray scattering and magnetic spectroscopy and temperature-dependent magnetometry. A combination of an antiferromagnetic coupling between the La 0.7 Sr 0.3 CrO 3 and La 0.7 Sr 0.3 MnO 3 layers and a suppression of interfacial polar distortions are found to result in robust long-range ferromagnetic ordering for ultrathin La 0.7 Sr 0.3 MnO 3 . These results underscore the critical importance of interfacial structural and magnetic interactions in the design of devices based on two-dimensional oxide magnetic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Deposition of high permeability FeCoN films on mica substrates

In this study, sheet mica was explored as an alternative substrate for thin film deposition due to its unique layered structure and atomically flat surface. Static magnetic properties and microwave permeability of sputtered FeCoN films on mica with and without SiO{sub 2} under-layer were examined. In-plane isotropy and a large coercivity of 70 Oe were observed for the film directly deposited on mica substrate. With the insertion of 40 nm SiO{sub 2} under-layer between the film and mica substrate, well-defined in-plane anisotropy is formed due to the significant reduce in film residual stress, associated with a 3 Oe coercive force along easy axis. As a result, excellent microwave properties have been achieved and are comparable with the same film on Si substrate. Moreover, the permeability spectra are surprisingly stable from room temperature up to 390 K. Mica is proved as a promising substrate for magnetic films with high microwave performance, which is a great advantage for practical applications. Furthermore, our results provide an effective way to reduce the residual stress in sputtered films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Thermal stability of anisotropic bonded magnets prepared by additive manufacturing

Abstract In this research, anisotropic NdFeB + SmFeN hybrid and NdFeB bonded magnets are additively printed in a polyphenylene sulfide (PPS) polymer binder. Printed NdFeB + SmFeN PPS bonded magnets displayed excellent magnetic properties ( B r [remanence] = 6.9 kG [0.69 T], H cj [coercivity] = 8.3 kOe [660 kA/m], and BH max [energy product] = 9.9 MGOe [79 kJ/m 3 ]) with superior corrosion resistance and thermal stability. The anisotropic NdFeB bonded magnet shows a high coercivity of 14.6 kOe (1162 kA/m) with a BH max of 8.7 MGOe (69 kJ/m 3 ). The coercivity and remanence temperature coefficients for NdFeB + SmFeN hybrid bonded magnets are −0.10%/K and −0.46%/K, and for NdFeB bonded magnets are −0.14%/K and −0.53%/K in the range of 300–400 K, indicating that the hybrid bonded magnets are thermally stable. The average flux aging loss for hybrid magnets was also determined to be very stable over 2000 h at 448 K (175°C) in air with 2.04% compared to that of NdFeB magnets with 3.62%.

thermal stability↗
DOE OSTI2016

ASSESSING MAGNETIC TORQUES AND ENERGY FLUXES IN CLOSE-IN STAR–PLANET SYSTEMS

Planets in close-in orbit interact with the magnetized wind of their hosting star. This magnetic interaction was proposed to be a source for enhanced emissions in the chromosphere of the star, and to participate in setting the migration timescale of the close-in planet. The efficiency of the magnetic interaction is known to depend on the magnetic properties of the host star and of the planet, and on the magnetic topology of the interaction. We use a global, three-dimensional numerical model of close-in star–planet systems, based on the magnetohydrodynamics approximation, to compute a grid of simulations for varying properties of the orbiting planet. We propose a simple parametrization of the magnetic torque that applies to the planet, and of the energy flux generated by the interaction. The dependency upon the planet properties and the wind properties is clearly identified in the derived scaling laws, which can be used in secular evolution codes to take into account the effect of magnetic interactions in planet migration. They can also be used to estimate a potential magnetic source of enhanced emissions in observed close-in star–planet systems, in order to constrain observationally possible exoplanetary magnetic fields.

79 ASTRONOMY AND ASTROPHYSICS↗