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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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Nonclassical Spin Transfer Effects in an Antiferromagnet

We simulate scattering of electrons by a chain of antiferromagnetically coupled quantum Heisenberg spins, to analyze spin-transfer effects not described by the classical models of magnetism. Our simulations demonstrate efficient excitation of dynamical states that would be forbidden by the semiclassical symmetries, such as generation of multiple magnetic excitation quanta by a single electron. Furthermore, quantum interference of spin wave functions enables generation of magnetization dynamics with amplitudes exceeding the transferred magnetic moment. Here, the efficiency of excitation is almost independent of the electron spin polarization, and is governed mainly by the transfer of energy. Nonclassical spin transfer may thus enable efficient electronic control of antiferromagnets not limited by the classical constraints.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Formation of Mn-rich interfacial phases in Co 2 Fe x Mn 1-x Si thin films

Here, we report the formation of Mn-rich regions at the interface of Co 2 Fe x Mn 1-x Si thin films grown on GaAs substrates by molecular beam epitaxy (MBE). Scanning transmission electron microscopy (STEM) with electron energy loss (EEL) spectrum imaging reveals that each interfacial region: (1) is 1–2 nm wide, (2) occurs irrespective of the Fe/Mn composition ratio and in both Co-rich and Co-poor films, and (3) displaces both Co and Fe indiscriminately. We also observe a Mn-depleted region in each film directly above each Mn-rich interfacial layer, roughly 3 nm in width in the x = 0 and x = 0.3 films, and 1 nm in the x = 0.7 (less Mn) film. We posit that growth energetics favor Mn diffusion to the interface even when there is no significant Ga interdiffusion into the epitaxial film. Element-specific X-ray magnetic circular dichroism (XMCD) measurements show larger Co, Fe, and Mn orbital to spin magnetic moment ratios compared to bulk values across the Co 2 Fe x Mn 1-x Si compositional range. The values lie between reported values for pure bulk and nanostructured Co, Fe, and Mn materials, corroborating the non-uniform, layered nature of the material on the nanoscale. Finally, SQUID magnetometry demonstrates that the films deviate from the Slater-Pauling rule for uniform films of both the expected and the measured composition. The results inform a need for care and increased scrutiny when forming Mn-based magnetic thin films on III-V semiconductors like GaAs, particularly when films are on the order of 5 nm or when interface composition is critical to spin transport or other device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Chemical disorder in topological insulators: A route to magnetism tolerant topological surface states

Here, we show that the chemical inhomogeneity in ternary three-dimensional topological insulators preserves the topological spin texture of their surface states against a net surface magnetization. The spin texture is that of a Dirac cone with helical spin structure in the reciprocal space, which gives rise to spin-polarized and dissipation-less charge currents. Thanks to the nontrivial topology of the bulk electronic structure, this spin texture is robust against most types of surface defects. However, magnetic perturbations break the time-reversal symmetry, enabling magnetic scattering and loss of spin coherence of the charge carriers. This intrinsic incompatibility precludes the design of magnetoelectronic devices based on the coupling between magnetic materials and topological surface states. We demonstrate that the magnetization coming from individual Co atoms deposited on the surface can disrupt the spin coherence of the carriers in the archetypal topological insulator Bi 2 Te 3 , while in Bi 2 Se 2 Te the spin texture remains unperturbed. This is concluded from the observation of elastic backscattering events in quasiparticle interference patterns obtained by scanning tunneling spectroscopy. The mechanism responsible for the protection is investigated by energy resolved spectroscopy and ab initio calculations, and it is ascribed to the distorted adsorption geometry of localized magnetic moments due to Se–Te disorder, which suppresses the Co hybridization with the surface states.

3D topological insulators↗
NASA NTRS1973

Jupiter's radiation belts and the sweeping effect of its satellites.

Jupiter's electron and proton radiation belts are analyzed, with particular reference to the sweeping effect of its five inner satellites, located deep within its magnetosphere. The characteristics of trapped electrons and protons with a magnetic moment of 50 MeV/G, considered typical at Jupiter, are calculated. The assumption is then made that a particle would be removed from the radiation belt if, in its normal motion, it would happen to impact a satellite. The mean absorption time before impact is calculated for particles located at the radial distance of each of the satellites. This average lifetime is found to be of the order of a few days. A characteristic diffusion time near each satellite was calculated, assuming violation of the third invariant due to magnetic fluctuations associated with fluctuations in the solar wind.

Mead, G. D.↗
DOE OSTI2025

Interface magnetism in vanadium-doped MoS 2 /graphene heterostructures

Magnetism in two-dimensional materials is of great importance in discovering new physical phenomena and developing new devices at the nanoscale. In this paper, first-principles simulations are used to calculate the electronic and magnetic properties of heterostructures composed of graphene and MoS 2 considering the influence of point defects and vanadium doping. It is found that the concentration of the dopants and the types of defects can result in induced magnetic moments leading to ferromagnetically polarized systems with sharp interfaces. This provides a framework for interpreting the experimental observations of enhanced ferromagnetism in both MoS 2 /graphene and V-doped MoS 2 /graphene heterostructures. The computed electronic and spin polarizations give a microscopic understanding of the origin of ferromagnetism in these systems and illustrate how doping and defect engineering can lead to targeted property tunability. Our work has demonstrated that through defects engineering, ferromagnetism can be achieved in V-doped MoS2/graphene heterostructures, providing a potential way to induce magnetization in other TMDC/graphene materials and opening new opportunities for their applications in nano-spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Direct Detection of Dimer Orbitals in Ba 5 AlIr 2 O 11

The electronic states of many Mott insulators, including iridates, are often conceptualized in terms of localized atomic states such as the famous "${J}_{\mathrm{eff}}=1/2$ state." Although orbital hybridization can strongly modify such states and dramatically change the electronic properties of materials, probing this process is highly challenging. We directly detect and quantify the formation of dimer orbitals in an iridate material ${\mathrm{Ba}}_{5}{\mathrm{AlIr}}_{2}{\mathrm{O}}_{11}$ using resonant inelastic x-ray scattering. Sharp peaks corresponding to the excitations of dimer orbitals are observed and analyzed by a combination of density functional theory calculations and theoretical simulations based on an Ir-Ir cluster model. Such partially delocalized dimer states lead to a redefinition of the angular momentum of the electrons and changes in the magnetic and electronic behaviors of the material. We use this to explain the reduction of the observed magnetic moment with respect to predictions based on atomic states. This study opens new directions to study dimerization in a large family of materials, including solids, heterostructures, molecules, and transient states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1986

Investigation of the effects of cobalt ions on epoxy properties

The effects of Co(acac)sub x complexes on MY-720 epoxy properties have been investigated. It appears that Co2(+) ions form antibonding or nonbonding orbitals which increase the free volume and also reduce the cohesiveness of the host epoxy. The effects of Co2(+) ions, on the other hand, seem to result in increased Cohesiveness of the epoxy. The experimental values of magnetic moments of both types of ions in MY-720 suggest that the orbital momentum contributions of the (3d) electrons are partially conserved, though the effect is more pronounced for Co2(+) ions. The coordination environment of the cobalt ions in the host epoxy does not appear to be uniquely defined. These results indicate that the effects of metal ions on resin properties cannot be easily predicted on the basis of ligand field theory argument alone. Complex interactions between metal ions and host epoxy molecular structure suggest the desirability of parallel experimental investigations of electronic, magnetic, and mechanical properties of metal ion-containing epoxy samples for comparison with theory.

Singh, J. J.↗
DOE OSTI2025

Genetically Controlled Iron Oxide Biomineralization in Encapsulin Nanocompartments for Magnetic Manipulation of a Mammalian Cell Line

Magnetic nanoparticles have proven invaluable for biomechanical investigations due to their ability to exert localized forces. However, cellular delivery of exogenous magnetic agents often results in endosomal entrapment, thereby limiting their utility for manipulating subcellular structures. This study characterizes and exploits fully genetically controlled biomineralization of iron-oxide cores inside encapsulin nanocompartments to enable magnetic-activated cell sorting (MACS) and magnetic cell manipulation. The fraction of MACS-retained cells showed substantial overexpression of encapsulins and exhibited both para- and ferrimagnetic responses with magnetic moments of 10 -15 A m 2 per cell, comparable to standard exogenous labels for MACS. Electron microscopy revealed that MACS-retained cells contained densely packed agglomerates of ≈30 nm iron oxide cores consisting of ultrafine quasicrystalline ordered nuclei within an amorphous matrix of iron, oxygen, and phosphorus. Scanning transmission X-ray microscopy, X-ray absorption spectroscopy, and Raman microspectroscopy confirmed that the iron-oxide species are consistent with ferric oxide (Fe 2 O 3 ). In addition, the encapsulin-overexpressing MACS-retained cells can be manipulated by a magnetic needle and regrown in patterns determined by magnetic gradients. This study demonstrates that the formation of quasicrystalline iron oxide with mixed para/ferrimagnetic behavior in the cytosol of mammalian cells enables magnetic manipulation without the delivery of exogenous agents.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Temperature- and field-driven spin reorientations in triple-layer ruthenate Sr 4 Ru 3 O 10

Sr 4 Ru 3 O 10 , the n = 3 member of the Ruddlesden-Popper type ruthenate Sr n+1 Ru n O 3n+1 , is known to exhibit a peculiar metamagnetic transition in an in-plane magnetic field. However, the nature of both the temperature- and field-dependent phase transitions remains as a topic of debate. Here, we have investigated the magnetic transitions of Sr 4 Ru 3 O 10 via single-crystal neutron diffraction measurements. At zero field, we find that the system undergoes a ferromagnetic transition with both in-plane and out-of-plane magnetic components at T c ≈ 100 K. Below T * = 50 K, the magnetic moments incline continuously toward the out-of-plane direction. At T = 1.5 K, where the spins are nearly aligned along the c axis, a spin reorientation occurs above a critical field Bc, giving rise to a spin component perpendicular to the plane defined by the field direction and the c axis. We suggest that both the temperature- and field-driven spin reorientations are associated with a change in the magnetocrystalline anisotropy, which is strongly coupled to the lattice degrees of freedom. This study elucidates the long-standing puzzles on the zero-field magnetic orders of Sr 4 Ru 3 O 10 and provides new insights into the nature of the field-induced metamagnetic transition.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The muon g-2 experiment at Fermilab

The E989 collaboration has recently published the most precise measurement of the muon anomalous magnetic moment $a_\mu$ with an uncertainty of $0.46\,\mathrm{ppm}$. The new experimental world average of $a_\mu$ deviates by 4.2 standard deviations from the Standard Model prediction provided by the Muon g-2 Theory Initiative. Emerging results from ab-initio lattice QCD calculations for hadron-physics contributions allow to scrutinize this tantalizing hint for physics beyond the Standard Model for the first time in a three way comparison. To extract the value of $a_\mu$ a frequency comparison experiment is performed with spin-polarized muons confined in a superbly controlled electric and magnetic field environment. A measurement of the difference between the Larmor and the cyclotron frequency, the so-called anomalous spin precession frequency, is combined with a high-precision measurement of the magnetic field environment which is performed using nuclear magnetic resonance techniques. I discussed the most recent result of the Fermilab Muon g-2 experiment's first physics data run performed in 2018. I reported on the experimental improvements implemented for the subsequent science runs that will allow the collaboration to achieve the ultimate goal of $0.14\,\mathrm{ppm}$ uncertainty on $a_\mu$.

Fertl, Martin↗
DOE OSTI2025

Skyrmion-like Spin Textures Emerging in the Material Derived from Structural Frustration

Magnetic materials with complex spin textures present both fundamental and practical appeal. The complex patterns of magnetic moments emerging on underlying crystal lattices hold potential for robust information storage and processing, including the promise of topological quantum computing. The scope of materials that host such patterns, however, remains rather limited. Here, in this study, we report a discovery of a complex spin texture in a noncentrosymmetric material that emerges from the structural frustration at the boundary between centrosymmetric parent structures MnCoGe (the hexagonal Ni 2 In or the orthorhombic TiNiSi structure type) and MnCoAs (the TiNiSi structure type). Our findings demonstrate that such structural frustration provides a powerful handle for identifying compositional spaces where complex magnetic behavior and associated nontrivial magnetic structures are likely to emerge. Thus, the new phase MnCoGe 1/3 As 2/3 exhibits a modulated cycloidal antiferromagnetic arrangement of electron spins on a noncentrosymmetric lattice (of the hexagonal ZrNiAl type) that materializes in the space between centrosymmetric collinear ferromagnets. This work provides a pathway for discovering novel materials with exotic spin textures for next-generation spintronics and quantum technologies.

Wang, YiXu [Florida State University, Tallahassee,↗
DOE OSTI2025

Inhomogeneity in electronic phase and flat band in magnetic kagome metal Co 3 Sn 2 S 2

Co 3 Sn 2 S 2 has been reported to be a Weyl semimetal with c-axis ferromagnetism below a Curie temperature of 177 K. Despite the large interest in Co 3 Sn 2 S 2 , the magnetic structure is still unclear. Recent studies have challenged the magnetic phase diagram of Co 3 Sn 2 S 2 by reporting unusual magnetic phases including the presence of exchange bias. Here we show, using X-ray Magnetic Circular Dichroism, a shift in the magnetization hysteresis loop, reminiscent of exchange bias and establish that the magnetic moment in Co arises from the spin, with negligible orbital moment. At 6 K, using spatially-resolved angle-resolved photoemission spectroscopy, we detect a butterfly-shaped electronic band structure at small regions of the sample distinct from the known ferromagnetic band structure. Our density functional theory calculations suggest that the butterfly bands correspond to an antiferromagnetic phase. Separately, we detect a sharp flat band at the Fermi level at some regions in the sample, which we attribute to a surface state. These different electronic states found in a stoichiometric intermetallic invite further efforts to explore the origin and nature of the electronic inhomogeneity associated to magnetism on the mesoscale.

Electronic properties and materials↗
DOE OSTI2018

Cubic hastatic order in the two-channel Kondo-Heisenberg model

Materials with non-Kramers doublet ground states naturally manifest the two-channel Kondo effect, as the valence fluctuations are from a non-Kramers doublet ground state to an excited Kramers doublet. Here, the development of a heavy Fermi liquid requires a channel-symmetry-breaking spinorial hybridization that breaks both single and double time-reversal symmetry, and is known as hastatic order. Motivated by cubic Pr-based materials with $Γ$ 3 non-Kramers ground state doublets, this paper provides a survey of cubic hastatic order using the simple two-channel Kondo-Heisenberg model. Hastatic order necessarily breaks time-reversal symmetry, but the spatial arrangement of the hybridization spinor can be either uniform (ferrohastatic) or break additional lattice symmetries (antiferrohastatic). The experimental signatures of both orders are presented in detail, and include tiny conduction electron magnetic moments. Interestingly, there can be several distinct antiferrohastatic orders with the same moment pattern that break different lattice symmetries, revealing a potential experimental route to detect the spinorial nature of the hybridization. We employ an SU( N ) fermionic mean-field treatment on square and simple cubic lattices, and examine how the nature and stability of hastatic order varies as we vary the Heisenberg coupling, conduction electron density, band degeneracies, and apply both channel and spin symmetry breaking fields. In conclusion, we find that both ferrohastatic and several types of antiferrohastatic orders are stabilized in different regions of the mean-field phase diagram, and evolve differently in strain and magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Time-Resolved Spectroscopy of Insulator-Metal Transitions: Exploring Low-Energy Dynamics in Strongly Correlated Systems. Final Report

Transition metal oxides (TMOs) have attracted much attention in recent years. The strong coupling between charge, spin, and orbital degrees of freedom creates novel functional properties. The research at the interplay between ferromagnetism, ferroelectricity and conductivity provides a promising way to the development of future spintronic devices. The interface characterization of multifunctional oxide heterostructures is crucial to understand deeply the magnetic response, spin injection and spin transport. In year one, we characterized optically the magnetic property with the method of magnetization-induced second-harmonic generation (MSHG), which is a sensitive technique to selectively probe the interface where the spatial inversion symmetry is broken. The interface of n-type BaTiO 3 (BTO)/La 0.67 Sr 0.33 MnO 3 (LSMO) forms a Schottky barrier and displays a good diode effect. By applying an external electric field across the sample, we observe the magnetoelectric (ME) coupling effect to modulate the interface magnetization. The voltage dependent magnetic contrast sharply vanishes at positive voltage (applied to LSMO contact) and reveals a ferromagnetic (FM)-to- antiferromagnetic (AFM) transition occurring at the interface, while the magneto-optic Kerr effect (MOKE) indicates that the bulk property is not affected. The strain mediated mechanism and ferroelectric (FE) polarization induced charge medicated mechanism are both discussed, but they do not play an important role in the observed magnetization transition. A new mechanism is proposed - the injected minority spins through strong Hund's interaction with the local magnetic moments at positive voltage weaken the double-exchange interaction of nearby Mn e g electrons, thereby reducing the ferromagnetic (FM) ordering. The dominant superexchange interaction of localized t 2g electrons finally leads to the AFM configuration. By reducing the electron carrier concentration of BTO, a positive voltage shift of the transition is observed. The oxygen richer sample with lower carrier concentration requires a higher voltage to increase the hole doping level of LSMO to induce the interfacial AFM phase. By inserting a thin (1nm) La 0.5 Ca 0.5 MnO 3 layer between BTO and LSMO, the interface magnetic response from LSMO is enhanced. In year two, a non-multiferroic heterostructure SrTiO 3 (STO)/ La 0.5 Ca 0.5 MnO 3 (LCMO)/La 0.67 Sr 0.33 MnO 3 (LSMO) was studied. In this system, the interface FM-AFM transition is observed at negative voltage. The STO layer may act as a hole-donating layer, which induces the hole transfer to LSMO making it overdoped, while the LCMO interlayer at the 0.5 hole doping level displays complicated CE type AFM phase. Thus the AFM phase is dominant at the interface and electron accumulation is required to induce the FM phase by applying a negative voltage. For oxygen rich sample, the magnetic MSHG loop reappears at high positive voltage (around +2.5 V). At high doping level (x > 0.5), LSMO exhibits A-type AFM order, consisting of AFM superexchange coupling between adjacent layers and intralayer FM double-exchange coupling. The less tensile strain of STO and LSMO due to a smaller lattice mismatch as compared to BTO would result in a weaker interlayer coupling . Thus, interfacial A-type AFM order can occur in STO/LCMO/LSMO heterostructure at high hole doping concentration. The study of ME coupling of multifunctional oxide heterostructures is definitely important to the development and performance of future spintronic devices. The results presented here regarding the interfacial magnetic transition controlled by an external electric field offer some new perspective to study the spin transport of magnetic tunnel junctions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Unraveling Site Selective Magnetic Properties of Cobalt Sites in Critical Elements Lean RE(TM)5 Magnet Materials

We report here our discovery of crystallographic and interstitial sites and onsite electron correlation propelled intrinsic and derived permanent magnetic properties of critical elements lean RE(TM) 5 (RE = La, Ce and TM = Fe, Co) magnet materials. A full potential linearized augmented plane wave (FP-LAPW) method within the local density approximation (LDA) is used to investigate and analyze the electronic structure and magnetism of these RE(TM) 5 type structures. To better correlate the experimental results, the effective Coulomb (U) and exchange (J) interactions (Hubbard parameters) are crucial at the transition metal sites. Results show that the main propeller of magnetic anisotropy in these compounds is the cobalt atoms at the 2c sites not the 3g sites. This site-specific property and site preference energetics are used to replace 3g sites with non-critical elements such as iron that exhibits a larger magnetic moment. Based on this strategic replacement, we predict two new compounds that have a larger hardness parameter with a relatively large energy product due to the atomic dilution caused by interstitial addition of nitrogen in the compounds: CeCo 2 Fe 3 N 2 and LaCo 2 Fe 3 N 2 .

Rare-earths↗
DOE OSTI2018

Effects of Al content and annealing on the phases formation, lattice parameters, and magnetization of A l x F e 2 B 2 ( x = 1.0 , 1.1 , 1.2 ) alloys

AlFe 2 B 2 is a ferromagnet with the Curie temperature around 300 K and has the potential to be an outstanding rare-earth free candidate for magnetocaloric applications. However, samples prepared from the melt contain additional phases which affect the functional response of the AlFe 2 B 2 phase. Here, we report on the effects of Al content in samples with the initial (nominal) composition of Al x Fe 2 B 2 where x=1.0, 1.1, and 1.2 prepared by arc-melting followed by suction casting and annealing. The as-cast Al x Fe 2 B 2 alloys contain AlFe 2 B 2 as well as additional phases including the primary solidifying FeB and Al 13 Fe 4 compounds which are ferromagnetic and paramagnetic, respectively, at 300 K. The presence of these phases makes it difficult to extract the intrinsic magnetic properties of AlFe 2 B 2 phase. Annealing of Al x Fe 2 B 2 alloys at 1040°C for 3 days allows for reaction of the FeB with Al 13 Fe 4 to form the AlFe 2 B 2 phase, significantly reduces the amount of additional phases, and results in nearly pure AlFe 2 B2 phase as confirmed with XRD, magnetization, scanning electron microscopy, and electronic transport. The values of the magnetization, effective magnetic moment per Fe atom, specific heat capacity, electrical resistivity and Seebeck coefficient for the AlFe 2 B 2 compound have been established.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hyperfine and quadrupole interactions for Dy isotopes in DyPc 2 molecules

Nuclear spin levels play a vital role in understanding magnetization dynamics and implementation and control of quantum bits in lanthanide-based single-molecule magnets. We investigate the hyperfine and nuclear quadrupole interactions for 161 Dy and 163 Dy nuclei in anionic DyPc 2 (Pc=phthalocyanine) single-molecule magnets, using multiconfigurational ab initio methods (beyond density-functional theory) including spin–orbit interaction. The two isotopes of Dy are chosen because the others have zero nuclear spin. Both isotopes have the nuclear spin I =5/2, although the magnitude and sign of the nuclear magnetic moment differ from each other. The large energy gap between the electronic ground and first-excited Kramers doublets, allows us to map the microscopic hyperfine and quadrupole interaction Hamiltonian onto an effective Hamiltonian with an electronic pseudo-spin that corresponds to the ground Kramers doublet. Our ab initio calculations illustrate that the coupling between the nuclear spin and electronic orbital angular momentum contributes the most to the hyperfine interaction and that both the hyperfine and nuclear quadrupole interactions for 161 Dy and 163 Dy nuclei are much smaller than those for the 159 Tb nucleus in TbPc 2 single-molecule magnets. The calculated separations of the electronic-nuclear levels are comparable to experimental data reported for 163 DyPc 2 . We demonstrate that hyperfine interaction for the Dy Kramers ion leads to tunnel splitting (or quantum tunneling of magnetization) at zero field. This effect does not occur for TbPc 2 single-molecule magnets. The magnetic field values of the avoided level crossings for 161 DyPc 2 and 163 DyPc 2 are found to be noticeably different, which can be observed from the experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗