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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Laser-driven, ion-scale magnetospheres in laboratory plasmas. II. Particle-in-cell simulations

Ion-scale magnetospheres have been observed around comets, weakly magnetized asteroids, and localized regions on the Moon and provide a unique environment to study kinetic-scale plasma physics, in particular in the collision-less regime. In this work, we present the results of particle-in-cell simulations that replicate recent experiments on the large plasma device at the University of California, Los Angeles. Using high-repetition rate lasers, ion-scale magnetospheres were created to drive a plasma flow into a dipolar magnetic field embedded in a uniform background magnetic field. The simulations are employed to evolve idealized 2D configurations of the experiments, study highly resolved, volumetric datasets, and determine the magnetospheric structure, magnetopause location, and kinetic-scale structures of the plasma current distribution. We show the formation of a magnetic cavity and a magnetic compression in the magnetospheric region, and two main current structures in the dayside of the magnetic obstacle: the diamagnetic current, supported by the driver plasma flow, and the current associated with the magnetopause, supported by both the background and driver plasmas with some time-dependence. From multiple parameter scans, we show a reflection of the magnetic compression, bounded by the length of the driver plasma, and a higher separation of the main current structures for lower dipolar magnetic moments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Chemical Control of Spin‐Orbit Coupling and Charge Transfer in Vacancy‐Ordered Ruthenium(IV) Halide Perovskites

Abstract Vacancy‐ordered double perovskites are attracting significant attention due to their chemical diversity and interesting optoelectronic properties. With a view to understanding both the optical and magnetic properties of these compounds, two series of Ru IV halides are presented; A 2 RuCl 6 and A 2 RuBr 6 , where A is K, NH 4 , Rb or Cs. We show that the optical properties and spin‐orbit coupling (SOC) behavior can be tuned through changing the A cation and the halide. Within a series, the energy of the ligand‐to‐metal charge transfer increases as the unit cell expands with the larger A cation, and the band gaps are higher for the respective chlorides than for the bromides. The magnetic moments of the systems are temperature dependent due to a non‐magnetic ground state with J eff =0 caused by SOC. Ru‐ X covalency, and consequently, the delocalization of metal d ‐electrons, result in systematic trends of the SOC constants due to variations in the A cation and the halide anion.

Vishnoi, Pratap↗
DOE OSTI2020

Giant orbital magnetoelectric effect and current-induced magnetization switching in twisted bilayer graphene

Recently, quantum anomalous Hall effect with spontaneous ferromagnetism was observed in twisted bilayer graphenes (TBG) near 3/4 filling. Importantly, it was observed that an extremely small current can switch the direction of the magnetization. This offers the prospect of realizing low energy dissipation magnetic memories. However, the mechanism of the current-driven magnetization switching is poorly understood as the charge currents in graphenes are generally believed to be non-magnetic. In this work, we demonstrate that in TBG, the twisting and substrate induced symmetry breaking allow an out of plane orbital magnetization to be generated by a charge current. Moreover, the large Berry curvatures of the flat bands give the Bloch electrons large orbital magnetic moments so that a small current can generate a large orbital magnetization. We further demonstrate how the charge current can switch the magnetization of the ferromagnetic TBG near 3/4 filling as observed in the experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Fractional magnetic charges and channeling of Faraday lines by disclinations in artificial spin ice

We have studied the magnetic moments of artificial spin ice arrays of nanomagnets in both undistorted square arrays and in arrays with a topological defect induced by a single disclination. We confirm that the disclination induces global, macroscopic changes in the low-energy collective states of the nanomagnet moment configuration. Specifically, the disclination leads to Faraday lines of effective magnetic flux that run from the center all the way to the edge of the arrays. Moreover, the geometric deformation, induced by the topological defect, curves the geometry such that these Faraday lines are channeled preferentially by the arrays’ curved geometry. Our results demonstrate how the intentional combination of topology and geometry can be designed to control magnetic charges and the flow of local magnetization and thus manipulate associated collective excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Electronic and magnetic structures that hinder the superconducting state in the collapsed phase of $\mathrm{SrCr_2}$ $\mathrm{As_2}$

The lack of superconductivity in the family of materials $AB_2$ $\mathrm{As_2}$ ($A$ = $\mathrm{Sr, Ba}$ and $B$ = $\mathrm{Cr, Mn}$) under doping or pressure is an intriguing issue, considering the resemblance of these materials to their cousin materials and superconductors $\mathrm{(Ba, Sr) Fe_2}$ $\mathrm{As_2}$. In this context, the suppression of magnetism together with the presence of electron and hole pockets in the Brillouin zone seem to be fundamental ingredients to explain superconductivity. In this paper, we report a tetragonal to collapsed-tetragonal phase transition in $\mathrm{SrCr_2}$ $\mathrm{As_2}$ under high pressure with the appearance of hole and electron pockets in the Brillouin zone. In this collapsed-tetragonal phase, a residual local magnetic moment in the Cr-ion site and a finite global magnetic energy are derived. Importantly, this scenario would suggest why superconductivity is prevented in this compound. Our observations were obtained from the analysis of synchrotron x-ray diffraction measurements of polycrystalline samples of $\mathrm{SrCr_2}$ $\mathrm{As_2}$, and using first-principles simulations, under pressures $P$ in the range $\mathrm{1.4}$ $\mathrm{GPa}$ < $P$ < $\mathrm{20 GPa}$ at room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Derivation of low-energy Hamiltonians for heavy-fermion materials

Here, by utilizing a multiorbital periodic Anderson model with parameters obtained from ab initio band structure calculations, combined with degenerate perturbation theory, we derive effective Kondo-Heisenberg and spin Hamiltonians that capture the interaction among the effective magnetic moments. This derivation encompasses fluctuations via both nonmagnetic 4⁢𝑓 0 and magnetic 4⁢𝑓 2 virtual states, and its accuracy is confirmed through comparison with experimental data obtained from CeIn 3 . The significant agreement observed between experimental results and theoretical predictions underscores the potential of deriving minimal models from first-principles calculations for achieving a quantitative description of 4⁢𝑓 materials. Moreover, our microscopic derivation unveils the underlying origin of anisotropy in the exchange interaction between Kramers doublets, shedding light on the conditions under which this anisotropy may be weak compared to the isotropic contribution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Evaluating the effects of structural disorder on the magnetic properties of Nd 2 Zr 2 O 7

Motivated by the variation in reported lattice parameters of floating-zone-grown Nd 2 Zr 2 O 7 crystals, we have performed a detailed study of the relationship between synthesis environment, structural disorder, and magnetic properties. Using a combination of polycrystalline standards, electron-probe microanalysis, and scattering techniques, we show that crystals grown under atmospheric conditions have a reduced lattice parameter relative to pristine polycrystalline powders due to occupation of the Nd site by excess Zr (i.e., negative stuffing). In contrast, crystals grown under high-pressure Ar are nearly stoichiometric with an average lattice parameter approaching the polycrystalline value. While minimal disorder of the oxygen sublattices is observed on the scale of the average structure, neutron pair-distribution function analysis indicates a highly local disorder of the oxygen coordination, which is only weakly dependent on growth environment. Most importantly, our magnetization, heat capacity, and single-crystal neutron scattering data show that the magnetic properties of crystals grown under high-pressure Ar match closely with those of stoichiometric powders. Neutron scattering measurements reveal that the signature of magnetic moment fragmentation—the coexistence of all-in-all-out (AIAO) magnetic Bragg peaks and diffuse pinch-point scattering due to spin-ice correlations–persists in these nearly stoichiometric crystals. However, in addition to an increased AIAO transition temperature, the diffuse signal is seemingly stabilized and remains nearly unchanged upon warming to 800 mK. This behavior indicates that both the AIAO magnetic order and spin-ice correlations are sensitive to deviations of the Nd stoichiometry.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Excitation spectrum and low-temperature magnetism in the disordered defect-fluorite Ho2⁢Zr2⁢O7

In this work, we report on the thermomagnetic characterization and crystalline-electric field (CEF) energy scheme of the disordered defect-fluorite Ho2⁢Zr2⁢O7. This structural phase is distinguished by the coexistence of magnetic frustration and extensive disorder, with Ho3+ and Zr4+ sharing randomly the same 4⁢𝑎 site with even 50% occupancy, and an average 1/8 oxygen vacancy per unit cell. AC magnetic susceptibility measurements performed on powder samples down to 0.5 K revealed signs of slowing spin dynamics without glassy behavior, including a frequency dependent peak at ∼1K. Yet, no evidence for long-range magnetic order is found down to 200 mK in the specific heat. Inelastic neutron scattering measurements show a weak, low-lying CEF excitation around 2 meV, accompanied by a broad level centered at 60 meV. To fit our observations, we propose an approach to account for structural disorder in the crystal-field splitting of the non-Kramers Ho3+. Our model provides an explanation to the broadening of the high-energy, single-ion excitations and suggests that the zirconate ground-state wavefunction has zero magnetic moment. Through the breaking of local symmetry, structural disorder enables the magnetic response observed in Ho2⁢Zr2⁢O7, allowing the mixing of low-lying states at finite temperatures. Finally, we show that this scenario is in good agreement with the bulk properties reported in this work.

Gardner, Jason [ORNL] (ORCID:0000000278234072)↗
NASA NTRS1975

Magnetization and magnetic susceptibility of DyH3

The magnetization and differential magnetic susceptibility of powdered DyH3 samples are measured at a temperature of 4.2 K in applied magnetic fields ranging up to 9 Teslas. The differential magnetic susceptibility is also investigated in the zero applied field. Magnetization is plotted as a function of field strength, and differential susceptibility is described as a function of both field strength and temperature. A saturation magnetic moment of 5.12 Bohr magnetons per ion is derived from the magnetization data, and the zero-field susceptibility measurements are found to indicate antiferromagnetic ordering below 3.45 K. The susceptibility at 4.2 K is shown to have an inverse-square dependence on field strength for values of not less than 0.3 Tesla.

Flood, D. J.↗
DOE OSTI2025

Sm 2 Ru 3 Sn 5 : A Noncentrosymmetric Cubic Member of the Ln 2 M 3 X 5 Family

An optimized synthetic method is presented for Sm 2 Ru 3 Sn 5 and investigate its physical properties and electronic structure. Sm 2 Ru 3 Sn 5 is prepared by arc-melting stoichiometric ratios of the elements and is confirmed by single crystal and powder X-ray diffraction. An antiferromagnetic transition is observed at T N = 3.8 K. A modified Curie-Weiss fit to the data in the range 50–150 K yields a Curie-Weiss temperature: θ CW = −36.6 K and an effective magnetic moment: μ eff = 0.83 μ B , in agreement with a Sm 3+ oxidation state. Field-dependent magnetization up to H = 7 T at 2 K shows a maximum response of 0.06 μ B , which is significantly lower than the expected Sm 3+ saturation moment (0.71 μ B ). Resistivity measurements indicate metallic behavior, and analysis of the magnetic entropy from the heat capacity reveals a doublet ground state due to crystal electric field splitting. The electronic structure and density of states are calculated with density function theory and further supported by the local density approximation with dynamical mean-field theory. Finally, the experimental and computational results highlight localized Sm 3+ moments and suggest a possible interplay between Ruddelman–Kitel–Kasuya–Yosida and Kondo interactions, positioning Sm 2 Ru 3 Sn 5 as a promising material for studying topology and complex physical phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1972

Response of trapped particles to a collapsing dipole moment.

Particle motion in the secularly varying geomagnetic field is investigated in terms of a dipolar magnetic field with decreasing magnetic moment M. For dM/dt equal to the rate of decay of the earth's dipole component, we find there is drift in B-L space, resulting in an inward drift of particles accompanied with increased energy and unidirectional intensity. Secular variation of the geomagnetic field appears to be a dominant mechanism for radial drift in the inner radiation belt.

Heckman, H. H.↗
DOE OSTI2024

Computational synthesis of a new generation of 2D-based perovskite quantum materials

Perovskite-based optoelectronic devices have emerged as a promising energy source due to their potential for scalable production. This study introduces “perovskene,” a novel class of 2D materials derived from the ABC3-like perovskites, synthesized via a data-driven, high-throughput computational strategy. We harness machine learning and multitarget deep neural networks to systematically investigate the structure–property relations, paving the way for targeted material design and optimization in fields such as renewable energy, electronics, and catalysis. The characterization of over 1500 synthesized structures shows that more than 500 structures are stable, revealing properties such as ultra-low work function and large magnetic moment, underscoring the potential for advanced technological applications.

2D materials↗
DOE OSTI2021

Suppressed-moment 2-k order in the canonical frustrated antiferromagnet Gd 2 Ti 2 O 7

In partially ordered magnets, order and disorder coexist in the same magnetic phase, distinct from both spin liquids and spin solids. Here, we determine the nature of partial magnetic ordering in the canonical frustrated antiferromagnet Gd 2 Ti 2 O 7 , in which Gd 3+ spins occupy a pyrochlore lattice. Using single-crystal neutron-diffraction measurements in applied magnetic field, magnetic symmetry analysis, inelastic neutron-scattering measurements, and spin-wave modeling, we show that its low-temperature magnetic structure involves two propagation vectors (2-k structure) with suppressed ordered magnetic moments and enhanced spin-wave fluctuations. Our experimental results are consistent with theoretical predictions of thermal fluctuation-driven order in Gd 2 Ti 2 O 7 , and reveal that inelastic neutron-scattering measurements on powder samples can solve the longstanding problem of distinguishing single-k and multi-k magnetic structures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Large spin-driven dielectric response and magnetoelectric coupling in the buckled honeycomb $Fe_4Nb_2O_9$

Here, we present the significant spin-driven dielectric anomaly (~40% drop) and magnetoelectric coupling near the magnetic ordering temperature in single crystal $Fe_4Nb_2O_9$ . By combining neutron and x-ray single crystal diffraction techniques, we unambiguously determined its magnetic symmetry and studied the structural phase transition at $T_S$ = 70 K. The temperature-dependent static dielectric constant is strongly anisotropic, rendering two dielectric anomalies along the $a$ axis in the hexagonal lattice with the first one coupled to the magnetic ordering around $T_N$ = 97 K and the second one accompanying with a first-order structural transition around $T_S$ = 70 K. Below $T_N$, we found that the anomalous dielectric constant is practically proportional to the square of the magnetic moment from neutron diffraction data, indicating that the exchange striction is likely responsible for the strong spin-lattice coupling. Magnetic-field-induced magnetoelectric coupling was observed and is compatible with the determined magnetic structure that is characteristic of antiferromagnetically arranged ferromagnetic chains in the honeycomb plane. We propose that such magnetic symmetry should be immune to external magnetic fields to some extent favored by the freedom of rotation of moments in the honeycomb plane, laying out a promising system to control the magnetoelectric properties by magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Structure and magnetism of AlCoCrCuFeNi high-entropy alloy

We report on the investigation of magnetic and structural properties of AlCoCrCuFeNi, which is known to crystallize in a dual phase solid solution: the face-centred cubic (FCC) or the body-centred cubic (BCC). The results of neutron (NPD) and synchrotron powder diffraction (SXRD) allow to partially resolve magnetic information coming from BCC and FCC phases, which is impossible in the bulk magnetic measurements. Electron diffraction (PED) revealed that AlCoCrCuFeNi forms dendritic microstructure with the Cu-rich FCC phase and the Ni-rich BCC phase. Lattice parameters obtained from PED method are in good agreement with parameters obtained after refinement on the basis of powder X-ray diffraction measurements. The local crystal and electronic structure around Co was studied using Co K X-ray Absorption Spectroscopy (XAS). The magnetic measurements show that AlCoCrCuFeNi reveal a ferromagnetic transition at about 330K and displays magnetic hysteresis loop at the room temperature. Results from NPD suggest that the magnetic moment is mostly located in the BCC subsystem. The alloy shows soft magnetic properties. Saturated magnetizations (M s ), remanence ratio (M r /M s ) and coercivity (H c ) of the cast are estimated to be 45.10emu/g, 5.1% and 56 Oe at 300K, respectively. Finally, the BCC-FCC phase transformation up to 673K (400°C) was investigated using temperature dependent NPD, where a possible second BCC phase was identified.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The 12-layer trimer-based hexagonal perovskite Cs 4 Ca 0.7 Mn 3.3 Cl 12

Here, we describe the crystal structure and basic magnetic properties of Cs 4 Ca 0.7 Mn 3.3 Cl 12 , a previously unreported twelve layer (12L-) hexagonal (R-3m) chloride perovskite. Its crystal structure features face sharing MnCl 6 octahedra that form Mn 3 Cl 12 trimers. The trimers, which form a triangular array, are separated by corner sharing to layers of disordered single Ca(Mn)Cl 6 octahedra. The decreased intratrimer Mn–Mn distance yields stronger magnetic coupling within trimers than between trimers. The dominant magnetic interactions are antiferromagnetic (θ CW = –105 K), the effective magnetic moment per Mn 2+ is 6.5 μ B , and potential signatures of magnetic frustration are observed. Behavior consistent with short- and long-range magnetic order is exhibited at approximately 37 and 0.7 K, respectively.

12L-hexagonal perovskite↗
DOE OSTI2021

Collective spin dynamics under dissipative spin Hall torque

Current-induced spin torques in layered magnetic heterostructures have many commonalities across broad classes of magnetic materials. These include not only collinear ferromagnets, ferrimagnets, and antiferromagnets but also more complex noncollinear spin systems. We develop a general Lagrangian–Rayleigh approach for studying the role of dissipative torques, which can pump energy into long-wavelength magnetic dynamics, causing dynamic instabilities. While the Rayleigh structure of such torques is similar for different magnetic materials, their consequences depend sensitively on the nature of the order and, in particular, on whether there is a net magnetic moment. The latter endows the system with a unipolar switching capability, while magnetically compensated materials tend to evolve toward limit cycles, at large torques, with chirality dependent on the torque sign. Apart from the ferromagnetic and antiferromagnetic cases, we discuss ferrimagnets, which display an intricate competition between switching and limit cycles. As a simple case for compensated noncollinear order, we consider isotropic spin glasses and a scenario of their coexistence with a collinear magnetic order.

Tserkovnyak, Yaroslav (ORCID:0000000232773695)↗