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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Size- and temperature-dependent magnetization of iron nanoclusters

In this paper, the magnetic behavior of bcc iron nanoclusters, with diameters between 2 and 8 nm, is investigated by means of spin dynamics simulations coupled to molecular dynamics, using a distance-dependent exchange interaction. Finite-size effects in the total magnetization as well as the influence of the free surface and the surface/core proportion of the nanoclusters are analyzed in detail for a wide temperature range, going beyond the cluster and bulk Curie temperatures. Comparison is made with experimental data and with theoretical models based on the mean-field Ising model adapted to small clusters, and taking into account the influence of low coordinated spins at free surfaces. Our results for the temperature dependence of the average magnetization per atom M (T), including the thermalization of the transnational lattice degrees of freedom, are in very good agreement with available experimental measurements on small Fe nanoclusters. In contrast, significant discrepancies with experiment are observed if the translational degrees of freedom are artificially frozen. The finite-size effects on M (T) are found to be particularly important near the cluster Curie temperature. Simulated magnetization above the Curie temperature scales with cluster size as predicted by models assuming short-range magnetic ordering. Analytical approximations to the magnetization as a function of temperature and size are proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1979

The magnetic effects of brecciation and shock in meteorites. II - The ureilites and evidence for strong nebular magnetic fields. III - The achondrites

Magnetic studies were conducted on samples of the ureilitic meteorites Goalpara, Havero, Novo Urei, and Kenna. Measurements included bulk magnetic susceptibility, natural remanent magnetization (NRM), saturation remanence, and the demagnetization behavior of NRM and saturation remanence. An approximate 'fossil' magnetic field intensity was determined by analysis of coercivity spectra of NRM and saturation remanence after reheating. It was found that the magnetic susceptibility of ureilites increased with severity of shock, and the NRM intensity decreases while its coercivity spectrum generally hardens with increasing shock. Goalpara and Kenna are distinguished by unexpectedly homogeneous, strong, stable, and directionally clustered NRM, indicative of a unique original magnetizing event. The results support the assertion that both ureilites and carbonaceous chondrites have formed from related nebular material and provide further evidence for a strong external magnetic field during the accretional stages and throughout an early bombardment stage.

Brecher, A.↗
NASA NTRS2012

The First in situ Observation of Kelvin-Helmholtz Waves at High-Latitude Magnetopause during Strongly Dawnward Interplanetary Magnetic Field Conditions

We report the first in situ observation of high-latitude magnetopause (near the northern duskward cusp) Kelvin-Helmholtz waves (KHW) by Cluster on January 12, 2003, under strongly dawnward interplanetary magnetic field (IMF) conditions. The fluctuations unstable to Kelvin-Helmholtz instability (KHI) are found to propagate mostly tailward, i.e., along the direction almost 90 deg. to both the magnetosheath and geomagnetic fields, which lowers the threshold of the KHI. The magnetic configuration across the boundary layer near the northern duskward cusp region during dawnward IMF is similar to that in the low-latitude boundary layer under northward IMF, in that (1) both magnetosheath and magnetospheric fields across the local boundary layer constitute the lowest magnetic shear and (2) the tailward propagation of the KHW is perpendicular to both fields. Approximately 3-hour-long periods of the KHW during dawnward IMF are followed by the rapid expansion of the dayside magnetosphere associated with the passage of an IMF discontinuity that characterizes an abrupt change in IMF cone angle, Phi = acos (B(sub x) / absolute value of Beta), from approx. 90 to approx. 10. Cluster, which was on its outbound trajectory, continued observing the boundary waves at the northern evening-side magnetopause during sunward IMF conditions following the passage of the IMF discontinuity. By comparing the signatures of boundary fluctuations before and after the IMF discontinuity, we report that the frequencies of the most unstable KH modes increased after the discontinuity passed. This result demonstrates that differences in IMF orientations (especially in f) are associated with the properties of KHW at the high-latitude magnetopause due to variations in thickness of the boundary layer, and/or width of the KH-unstable band on the surface of the dayside magnetopause.

solar wind↗
DOE OSTI2021

Role of Fe Doping on Local Structure and Electrical and Magnetic Properties of PbTiO 3

In this work, the local structure and multiferroic properties of iron-doped lead titanate (PbTi 1-x Fe x O 3-δ ) samples was investigated over the entire composition range (x = 0-1). Inherent polarization in PbTiO 3 decreases due to Fe 3+ incorporation up to the solubility limit (x similar to 0.3), although homogeneous doping persists only up to x = 0.1. Ti prefers highly distorted oxygen octahedra for any x value, while Fe prefers more symmetric O-deficient polyhedra (Fe-O n ). The charge compensating oxygen vacancies induce local tilting of the Fe-O n polyhedra beyond a critical x value (x ≥ 0.2), promoting magnetic interaction between two adjacent Fe atoms. The strain induced by local heterogeneity could act as a coupling force between magnetic and ferroelectric properties. Fe-rich clusters evolve into ferromagnetic PbFe 12 O 19 with increased Fe doping. PbTi 1-x Fe x O 3-δ (x ≥ 0.3) samples therefore have separate origins for the ferroelectric (PbTi 1-x Fe x O 3-δ ) and magnetic (PbFe 12 O 19 ) phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Synthesis of Co‐Doped MoS 2 Monolayers with Enhanced Valley Splitting

Abstract Internal magnetic moments induced by magnetic dopants in MoS 2 monolayers are shown to serve as a new means to engineer valley Zeeman splitting (VZS). Specifically, successful synthesis of monolayer MoS 2 doped with the magnetic element Co is reported, and the magnitude of the valley splitting is engineered by manipulating the dopant concentration. Valley splittings of 3.9, 5.2, and 6.15 meV at 7 T in Co‐doped MoS 2 with Co concentrations of 0.8%, 1.7%, and 2.5%, respectively, are achieved as revealed by polarization‐resolved photoluminescence (PL) spectroscopy. Atomic‐resolution electron microscopy studies clearly identify the magnetic sites of Co substitution in the MoS 2 lattice, forming two distinct types of configurations, namely isolated single dopants and tridopant clusters. Density functional theory (DFT) and model calculations reveal that the observed enhanced VZS arises from an internal magnetic field induced by the tridopant clusters, which couples to the spin, atomic orbital, and valley magnetic moment of carriers from the conduction and valence bands. The present study demonstrates a new method to control the valley pseudospin via magnetic dopants in layered semiconducting materials, paving the way toward magneto‐optical and spintronic devices.

Zhou, Jiadong↗
DOE OSTI2020

A Super-Oxidized Radical Cationic Icosahedral Boron Cluster

While the icosahedral closo-[B 12 H 12 ] 2– cluster does not display reversible electrochemical behavior, perfunctionalization of this species via substitution of all 12 B–H vertices with alkoxy or benzyloxy (OR) substituents engenders reversible redox chemistry, providing access to clusters in the dianionic, monoanionic, and neutral forms. In this work, we evaluated the electrochemical behavior of the electron-rich B 12 (O-3-methylbutyl) 12 (1) cluster and discovered that a new reversible redox event that gives rise to a fourth electronic state is accessible through one-electron oxidation of the neutral species. Chemical oxidation of 1 with [N(2,4-Br 2 C 6 H 3 ) 3 ] •+ afforded the isolable [1] •+ cluster, which is the first example of an open-shell cationic B 12 cluster in which the unpaired electron is proposed to be delocalized throughout the boron cluster core. The oxidation of 1 is also chemically reversible, where treatment of [1] •+ with ferrocene resulted in its reduction back to 1. The identity of [1] •+ is supported by EPR, UV–vis, multinuclear NMR ( 1 H, 11 B), and X-ray photoelectron spectroscopic characterization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA

Recent regularization of the SCAN meta-GGA functional (rSCAN) has simplified the numerical complexities of the SCAN functional, alleviating SCAN's stringent demand on the numerical integration grids to some extent. The regularization of rSCAN, however, results in the breaking of some constraints such as the uniform electron gas limit, the slowly varying density limit, and coordinate scaling of the iso-orbital indicator. Here, we assess the effects of regularization on the electronic, structural, vibrational, and magnetic properties of molecules by comparing the SCAN and rSCAN predictions. The properties studied include atomic energies, atomization energies, ionization potentials, electron affinities, barrier heights, infrared intensities, dissociation and reaction energies, spin moments of molecular magnets, and isomer ordering of water clusters. Our results show that rSCAN requires less dense numerical grids and gives very similar results to those of SCAN for all properties examined with the exception of atomization energies, which are worsened in rSCAN. We also examine the performance of self-interaction-corrected (SIC) rSCAN with respect to SIC-SCAN using the Perdew–Zunger (PZ) SIC method. The PZSIC method uses orbital densities to compute one-electron self-interaction errors and places an even more stringent demand on numerical grids. Our results show that SIC-rSCAN gives marginally better performance than SIC-SCAN for almost all properties studied in this work with numerical grids that are on average half or less as dense as that needed for SIC-SCAN.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Magnon heat transport in a two-dimensional Mott insulator

Whether or not anomalies in the thermal conductivity in insulating cuprates can be attributed to antiferromagnetic order and magnons in a 2D Mott insulator remains an intriguing open question. To shed light on this issue, we investigate the thermal conductivity $\kappa$ and its relationship with the specific heat $c_v$ in the half-filled 2D single-band Hubbard model, using the numerically exact determinant quantum Monte Carlo algorithm and maximum entropy analytic continuation. At low temperatures where the charge degrees of freedom are gapped-out and $c_v$ exhibits a clear magnon peak, we observe that thermal conductivity $\kappa$ also tends to form a peak at similar temperatures. Reducing temperature further produces a sharp upturn in $\kappa$, associated with an increasing mean-free path. Here we identify this as the high-temperature side of the anomalous peak in insulating cuprates, where the mean-free path eventually is cut-off by other scattering effects, including phonons, disorder, and physical size. Different scattering effects in our model are identified and analyzed in the thermal diffusivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1988

Soho and Cluster - The scientific instruments

The mission goals and instrumentation of the Soho and cluster spacecraft to be launched in 1995 as part of the international Solar-Terrestrial Science Program are discussed. Instruments such as normal-incidence, grazing-incidence, and EUV coronal spectrometers aboard the Soho spacecraft will study the origin of the solar wind and the physical properties of the solar atmosphere. The four Cluster spacecraft will measure electric and magnetic fields, plasmas, and energetic particles using instruments including a wide-band receiver system, a relaxation sounder, and a search coil magnetometer.

Domingo, V.↗
NASA NTRS2011

Observational Evidence of How Magnetofluid Turbulence in the Solar Wind Dissipates

The solar wind appears to be a fully developed turbulent magnetofluid. As this magnetofluid expands into the heliosphere, it cools significantly less rapidly than would be expected of an adiabatically expanding gas. The evolution of the temperature with distance is roughly what would be expected if the turbulence dissipated by heating the thermal plasma. Several physical mechanisms have been proposed, including resonance absorption of waves and Landau damping. Recently, high-time resolution magnetic field data from the four Cluster spacecraft have illustrated damping of the fluctuations out to the electron inertial scale. Use of the wave telescope/k-filtering technique during two intervals of busrt mode data suggests that dissipation of the fluctuations is due to Landau damping, first on protons, then on electrons.

Goldstein, Melvyn L.↗
NASA NTRS2011

Observations and Interpretation of Magnetofluid Turbulence at Small Scales

High time resolution magnetic field measurements from the four Cluster spacecraft have revealed new features of the properties of magnetofluid turbulence at small spatial scales; perhaps even revealing the approach to the dissipation regime at scales close to the electron inertial length. Various analysis techniques and theoretical ideas have been put forward to account for the properties of those measurements. The talk will describe the current state of observations and theory, and will point out on-going and planned research that will further our understanding of how magnetofluid turbulence dissipates. The observations and theories are directly germane to studies being planned as part of NASA's forthcoming Magnetospheric Multiscale Mission.

Goldstein, Melvyn L.↗
NASA NTRS2015

Mission Oriented Support and Theory (MOST) for MMS -- The Goddard Space Flight Center/University of California Los Angeles Interdisciplinary Science Program

The MOST IDS team was tasked with focusing on two general areas: The first was to participate with the Fast Plasma Investigation (FPI) team in the development of virtual detectors that model the instrument responses of the MMS FPI sensors. The virtual instruments can be 'flown through' both simulation data (from magnetohydrodynamic, hybrid, and kinetic simulations) and Cluster and THEMIS spacecraft data. The goal is to determine signatures of magnetic reconnection expected during the MMS mission. Such signatures can serve as triggers for selection of burst mode downloads. The chapter contributed by the FPI team covers that effort in detail and, therefore, most of that work has not been included here. The second area of emphasis, and the one detailed in this chapter, was to build on past and present knowledge of magnetic reconnection and its physical signatures. Below we describe intensive analyses of Cluster and THEMIS data together with theoretical models and simulations that delineate the plasma signatures that surround sites of reconnection, including the effects of turbulence as well as the detailed kinetic signatures that indicate proximity to reconnection sites. In particular, we point out that particles are energized in several regions, not only at the actual site of reconnection.

Goldstein, Melvyn L.↗
DOE OSTI2021

Extraordinarily strong magneto-responsiveness in phase-separated LaFe 2 Si

Materials responding vigorously to minor variations of external stimuli with negligible hysteresis could revolutionize many of the energy technologies, including refrigeration, actuation, and sensing. Here, we report a combined experimental and theoretical study of a two-phase composite, naturally formed at the LaFe 2 Si stoichiometry, which exhibits a nearly anhysteretic, two-step first-order ferromagnetic-to-paramagnetic phase transformation with enhanced sensitivity to an external magnetic field. Other unusual properties include a large plateau-like positive magnetoresistance, magnetic-field-induced temperature and entropy changes occurring over a wide temperature range, and a Griffiths-like phase associated with short-range ferromagnetic clustering in the paramagnetic state. The heat capacity, magnetization, Mössbauer spectroscopy, and electrical resistivity, all exhibit characteristic, unusually sharp, first-order discontinuities even in magnetic fields as high as 100 kOe. We expect that similar phenomena could be designed in other mixed-phase systems, leading to novel functionalities, such as giant caloric effects in many yet undiscovered or/and underperforming intermetallic compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Conductive Organometallic Polymers from Soluble Superatom Ions

Superatomic crystals comprising ligand-capped, metal chalcogenide clusters and fullerenes are modular materials that exhibit enhanced electronic, magnetic, and thermal conductivity properties. We find that neutral, M 4 S 4 (M = Fe, Co) clusters stabilized with N -heterocyclic carbenes (NHCs) can transfer charge to C 60 fullerene to form binary superatomic crystals. Notably, these compounds are soluble in various organic solvents, allowing their properties to be investigated in solution, unlike traditional fullerene-based superatomic crystals. The ion pairs can be further assembled into organometallic polymers using Janus-bis(NHCs) to cross-link the oxidized M 4 S 4 units. We show that the superatomic polymers are more conductive than both the precursor superatomic crystals and the polymers containing only neutral M 4 S 4 clusters. Similar conductivity values can be obtained when neutral M 4 S 4 –NHC polymers are doped with solutions of C 60 fullerene. These findings demonstrate that next generation superatomic materials can be prepared via the combination of charge transfer and polymerization with appropriate cross-linking agents.

carbon nanomaterials↗
DOE OSTI2022

Fathoming the anisotropic magnetoelasticity and magnetocaloric effect in GdNi

Intermetallic GdNi adopts a CrB type of crystal structure (space group Cmcm), and it orders ferromagnetically via a second-order phase transition at 70 K, exhibiting unusually strong spontaneous striction along the three independent crystallographic axes in the ferromagnetically ordered state. Here we introduce a microscopic model to describe anisotropic changes of lattice parameters and elastic contribution to magnetocaloric effect of GdNi. In the model, results of density functional theory (DFT) calculations are used as inputs into a Hamiltonian that includes elastic energy of an anisotropic crystal lattice, exchange interactions, and Zeeman effect. The magnetic and elastic Hamiltonians are coupled through an anisotropic Bean-Rodbell model of magnetoelastic interactions. This coupling gives rise to anisotropic changes in the lattice parameters observed experimentally, and the model reveals good to reasonable agreements between the current theoretical results and earlier experimental data, thus validating the model within the limits of assumptions made. We also show that DFT calculations with 4f electrons of Gd treated as core electrons lead to a more adequate estimate of elastic constants of GdNi in comparison with the LDA + U method where 4f electrons are treated as valence electrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Itinerant ferromagnetism in van der Waals Fe 5 – x Ge Te 2 crystals above room temperature

Two-dimensional (2D) van der Waals (vdW) magnets have recently attracted increasing attention, as they provide a novel system for exploring 2D magnetism. However, intrinsic ferromagnetism in 2D systems has almost exclusively been observed at low temperatures, limiting their technological relevance. Fe N Ge Te 2 ( N = 3 , 4, and 5) systems are currently becoming the most attractive 2D vdW materials due to their relatively high Curie temperatures and large saturation magnetization. However, the nature of their complex yet intriguing magnetic behaviors is still unclear, in part due to the multiple inequivalent iron sites and iron vacancies. In this study, we show evolution of magnetic ordering transitions in Fe 5 – x Ge Te 2 with high Curie temperature and a strong saturation magnetization using photoemission electron microscopy and transport measurements. At 275 K, the ferromagnet transitions to a ferrimagnet, and below 110 K transitions to a state with glassy clusters. These are evidenced from temperature-dependent magnetic stripe domain evolution and anisotropic magnetoresistance measurements. Our findings show a clear magnetic ground state of Fe 5 – x Ge Te 2 at room temperature which signals that Fe 5 – x Ge Te 2 system is a very promising candidate for spintronic devices and provides a material design pathway to further increase the Curie temperature and saturation moments in vdW ferromagnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1996

Evolving Magnetic Structures and Their Relation to Coronal Mass Ejections

Solar activity regions are frequently concentrated into cluster which persist for many solar rotations. These activity complexes are associated with weak dispersed magnetic fields which are most apparent after the activity itself has ceased. We call this combination of persistent activity and dispersed Evolving Magnetic Structures (EMS). Here we show examples of EMSs and describe the evolution of an EMS associated with major Coronal Mass Ejections (CME) and other solar and magnetic disturbances.

magnetic activity↗
DOE OSTI2020

Influence of non-magnetic Cu on enhancing the low temperature magnetic properties and Curie temperature of FeCoNiCrCu(x) high entropy alloys

The microstructure and magnetic properties of three face-centered cubic (FCC) FeCoNiCrCu(x) high entropy alloys (HEAs) (x=0, 0.5, 1) are investigated. Interestingly, addition of the nonmagnetic element Cu to FeCoNiCr HEA is found to enhance exchange interactions and low temperature saturation magnetization. The paramagnetic to ferromagnetic Curie transition temperature increases from 85 K for FeCoNiCr to 118 K for FeCoNiCrCu. This is counterintuitive since Cu is nonmagnetic; however, atom probe tomography revealed Cu rich clusters containing 5 at% Ni and 1 at% each of Fe, Co, Cr, within FCC matrix, these clusters altered the matrix composition and consequently its magnetic properties.

Chaudhary, Varun↗