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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Topological Materials with Complex Long-Range Order

The overarching vision of this proposal is to understand exotic metallic behavior in frustrated quantum magnets. This problem is at the core of understanding a number of mysteries in the study of itinerant magnetism, and of high temperature superconductivity. The central challenge is that magnetic order is generally understood by localized magnetic moments. In these systems the mobile electrons form an ordered magnetic state, sometime breaking sharp symmetry, sometimes forming incommensurate order, and other times forming a spin liquid. The present research focuses on finding complex magnets that are in close proximity to a sea of metallic, itinerant electrons.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Jovian magnetospheric neutral wind and auroral precipitation flux

A theoretical model of the Jovian magnetosphere is used to describe the mechanism by which energy is transported from Jupiter's rotation into heavy ions precipitating into the atmosphere, and resulting in intense ultraviolet aurora. The flow and magnetic field configurations used in the model are drawn from data collected by the Voyager orbiter. It is shown that the observed Jovian auroral radiation power is supplied by the precipitation of heavy ions of Iogenic origin. The ions are created by a charge exchange between the Io torus and fly as neutrals to the outer magnetosphere. A small fraction of the ions are photoionized in the outer magnetosphere where they acquire a magnetic moment determined by the local corotation electric field and planetary magnetic field. As the ions diffuse inward they are energized adiabatically. A schematic drawing illustrating the evolution of this process is provided. It is also shown that Jupiter may be a significant source of heavy ions for the solar wind by means of photoionization of a neutral wind. Secondary charge exchange in the outer magnetosphere could supply a flux of minimum energy neutral atoms that may have been measured by the Voyager Low Energy Charged Particle detector (LECP).

Eviatar, A.↗
DOE OSTI2018

Large moments in bcc Fe x Co y Mn z ternary alloy thin films

The elemental magnetic moments and the average atomic moment of 10-20 nm thick single crystal bcc (bct) Fe x Co y Mn z films deposited on MgO(001) have been determined as a function of a broad range of compositions. Thin film epitaxy stabilized the bcc structure for 80% of the available ternary compositional space compared to only a 23% stability region for the bulk. The films that display ferromagnetism represent 60% of the available compositional possibilities compared to 25% for the bulk. A maximum average atomic moment of 3.25 ± 0.3 μ B /atom was observed for a bcc Fe 9 Co 62 Mn 29 film (well above the limit of the Slater-Pauling binary alloy curve of 2.45 μ B /atom). Furthermore, the Fe x Co y Mn z ternary alloys that exhibit high moments can only be synthesized as ultrathin films since the bcc structure is not stable in the bulk for those compositions.

36 MATERIALS SCIENCE↗
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 OSTI2018

Nonadiabatic Hydrogen Dissociation on Copper Nanoclusters

Copper surfaces display high catalytic selectivity but have poor hydrogen dissociation kinetics; therefore, we consider icosahedral Cu 13 nanoclusters to understand how nanoscale structure might improve catalytic prospects. We find that the spin state is a surprisingly important design consideration. Cu 13 clusters have large magnetic moments due to finite size and symmetry effects and exhibit magnetization-dependent catalytic behavior. The most favorable transition state for hydrogen dissociation has a lower activation energy than that on single-crystal copper surfaces but requires a magnetization switch from 5 to 3 μ B . Without this switch, the activation energy is higher than that on single-crystal surfaces. Weak spin–orbit coupling hinders this switch, decreasing the kinetic rate of hydrogen dissociation by a factor of 16. Here, we consider strategies to facilitate magnetization switches through optical excitations, substitution, charge states, and co-catalysts; these considerations demonstrate how control of magnetic properties could improve catalytic performance.

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

Mn-induced Ferromagnetic Semiconducting Behavior with Linear Negative Magnetoresistance in Sr 4 (Ru 1-x Mn x ) 3 O 10 Single Crystals

Triple-layered Sr 4 Ru 3 O 10 is a unique ferromagnet with the central RuO 6 layer behaving differently from two outer layers both crystallographically and magnetically. Here, we report that the partial substitution of Ru by smaller Mn gives rise to modification in crystal structure, electronic and magnetic properties of Sr 4 (Ru 1-x Mn x ) 3 O 10 . Through the single crystal X-ray diffraction refinement, we find that (Ru/Mn)O 6 octahedral rotation is no longer detectable at x ≥ 0.23, leading to the tetragonal structure. The magnetization measurements indicate the ferromagnetic transition temperature T C decreases from 105 K for x = 0 to 30 K for x = 0.41, with the reduced magnetic moment as well. Remarkably, Mn doping results in the change of magnetic anisotropy from the easy c axis in x = 0 to the easy ab plane seen in x = 0.34 and 0.41. Such change also removes the ab -plane metamagnetic transition observed in x = 0. Furthermore, the electrical resistivity increases with increasing x showing semiconducting behavior with Δ ~ 10 meV for x = 0.34 and 30 meV for x = 0.41. Under applied magnetic field, the magnetoresistance exhibits negative and linear field dependence in all current and field configurations. These results clearly indicate Sr 4 (Ru 1-x Mn x ) 3 O 10 is a novel ferromagnetic semiconductor with exotic magnetotransport properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Surface magnetism and proximity effects in hexaboride thin films

Here, the unexpected ferromagnetism in alkaline hexaborides has attracted extensive research efforts. The exceptionally high Curie temperature sustained by very low density of magnetic moments is yet to be clearly understood. Here, we report the magnetic properties studied in CaB 6 and SrB 6 thin films and their heterostructures with SmB 6 grown by pulsed laser deposition. A coexistence of ferromagnetic and superparamagnetic orders with 2D-type magnetic anisotropy was observed in CaB 6 and SrB 6 . Boron deficiency and closely correlated local oxidization were found at the film surface that contacts air and its interface with the oxide substrate. These results suggest that the magnetism observed is likely generated by two thin surface/interface layers with high concentration of boron vacancies which are energetically stabled by oxygen cation. Additionally, clear suppression of the superconductivity proximity effect in SmB 6 film was observed when SmB 6 was grown on top of the magnetic CaB 6 . Such results demonstrate the interesting perspective of engineering multifunctional heterostructures by coupling the surface magnetic layer with the diversity of other hexaboride materials.

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 OSTI2019

Exploring possible ferromagnetism of the LaAl O 3 / SrTi O 3 interface

We report on extensive investigations of magnetism at the n -type LaAl O 3 / SrTi O 3 interface performed by utilizing a spectrum of local and integrative analytical techniques: Scanning superconducting quantum interference device microscopy, polar Kerr magnetometry, ferromagnetic resonance, and magnetic torque magnetometry. The samples originated from the same wafers. For nominally fully oxidized samples, we find that the mere presence of the conducting interface does not induce magnetism to values exceeding already present magnetic signals originating from the substrates, irrespective of the measurement technique. With the controlled introduction of oxygen vacancies, however, the different analytical techniques with their inherently different sensitivities and potential interactions with possible magnetic moments in the samples yield different results concerning the existence of magnetism. These unexpected differences obtained with the various measurement techniques are a possible source of the disagreement in the literature about the existence of ferromagnetism at LaAl O 3 / SrTi O 3 interfaces.

36 MATERIALS SCIENCE↗
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↗