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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Magnetic and Electrical Properties of Hg{sub 1–x–}Mn{sub x}Fe{sub y}Te{sub 1–z}S{sub z} Crystals

Electrical and magnetic properties of the semimagnetic semiconductor Hg{sub 1–x–y}Mn{sub x}Fe{sub y}Te{sub 1–z}S{sub z} solid solutions were studied in the ranges of temperatures 77–320 K and magnetic fields 0.25–6 kOe. In the crystals under study, the effect of giant magnetoresistance was observed that reached 75% at low temperatures. This is due to the fact that charge carriers that participate in the current transfer interact with a magnetized ferromagnetic cluster subsystem (Fe–Fe–Fe) and become spin-polarized. It is these spin-polarized charge carriers that are strongly scattered on antiferromagnetic Mn–S–Mn–S and Mn–Te–Mn–Te clusters, since the magnetic moments inside the clusters and the resulting magnetic moments of these clusters are randomly oriented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Dielectric, magnetic and electrical properties of Bi{sub 0.5}Na{sub 0.5}TiO{sub 3} – CoMn{sub 0.2}Fe{sub 1.8}O{sub 4} composites

The magnetoelectric composites of inverse spinel ferrite CoMn{sub 0.2}Fe{sub 1.8}O{sub 4} (CMFO) and Bi{sub 0.5}Na{sub 0.5}TiO{sub 3} (BNT) with general formula (x) Bi{sub 0.5}Na{sub 0.5}TiO{sub 3} – (1-x) CoMn{sub 0.2}Fe{sub 1.8}O{sub 4} have been prepared through hybrid processing route. X-ray diffraction pattern reveal that CFMO crystallizes in inverse cubic spinel phase and BNT in rhombohedral perovskite phase. Dielectric constant and dielectric loss were reported with frequency at room temperature. The magnetic properties of the composites were calculated from the Magnetization – Magnetic field (M-H) hysteresis loops obtained at room temperature. Ferroelectric properties of the composites were also investigated using Polarization –Electric field (P-E) hysteresis loops.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Temperature-dependent Structural and Spectroscopic Studies of (Bi 1– x Fe x )FeO 3

We report on temperature-dependent structural and spectroscopic features of (Bi 1–x Fe x )FeO 3 perovskite for x = 0.15 and 0.25. Samples were synthesized by heating quantum crystalline precursors obtained by the polyol method. Crystal structures of each composition were obtained from in-house X-ray, synchrotron X-ray, and time-of-flight neutron powder diffraction data Rietveld refinements. Partial replacement of the Bi site by the Fe 3+ cation significantly changes the crystal physicochemical properties, such as thermal expansion, polyhedral distortion, Debye temperature, and vibrational and magnetic properties. Whereas BiFeO 3 is multiferroic, both Bi 0.85 Fe 0.15 FeO 3 and Bi 0.75 Fe 0.25 FeO 3 are found to be superparamagnetic, as observed by temperature-dependent Mössbauer and SQUID measurements. Lattice thermal expansion was modeled using the Debye–Einstein-anharmonicity approach. Debye temperatures obtained from the mean-squared atomic displacement parameter and lattice thermal expansion are compared. Furthermore, temperature dependence of selective Raman modes is also analyzed.

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

A Comparative Study of Physical Properties of Er and Yb Nanophase Ferrite for Industrial Application

Nano ferrites CuCr{sub 0.3}Er{sub 0.03}Fe{sub 1.67}O{sub 4} and CuCr{sub 0.3}Yb{sub 0.03}Fe{sub 1.67}O{sub 4} were synthesized using standard ceramic technique. X-ray diffraction (XRD) patterns confirmed that the samples had cubic spinel structures. The average crystallite sizes of Er and Yb samples were in the range of 104.2–100 nm. The morphology analyses using field emission scanning electron microscopy (FESEM), high-resolution transmission electron microscopy (HRTEM) and atomic force microscopy (AFM) confirmed that the samples were in the nanoscale range. The compositional analyses using energy-dispersive x-ray (EDX) showed the atomic percentage (at.%) and weight percentage (wt%) of the investigated samples. The magnetic properties were carried out at room (300 K) and at low (100 K) temperatures magnetic hysteresis loop. The data showed that Er sample had higher saturation magnetization (M{sub s}) and lower coercivity (H{sub c}) than that of Yb sample suggesting that Er sample can be applied in magnetic applications. Moreover, Er sample had higher dielectric constant (ε’), dielectric loss (ε”) and dielectric loss tangent (tan δ) than that of Yb sample. However, Yb sample had higher resistivity than that of Er sample suggesting that Yb sample can be applied in electrical applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Random Magnetic Anisotropy Studies in SmCo{sub 5} Thin Films

SmCo{sub 5} thin films with different thicknesses were prepared by electron beam evaporation on Kapton substrates. The out-of-plane hysteresis loops for different thicknesses reveal a maximum coercive field when the thickness is 15 nm. Using random magnetic anisotropy model, the thickness dependence of magnetic properties was studied in SmCo{sub 5} nanocrystalline films and several fundamental magnetic parameters were extracted. We have determined the local magnetic anisotropy constant K{sub 1} which is found to increase with increasing film thickness except for t = 7 nm which is thought to arise from the structural imperfection of the SmCo{sub 5} films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Fe(III) and Cu(II) coordination polymers assembled from di/tris-phosphonic acid and auxiliary ligands: Structure, SOD-like activity and magnetic behavior

Hydrothermal reactions of (benzylazanediyl)bis(methylene)-diphosphonic acid (H{sub 4}L{sup 1}) or (benzene-1,3,5-triyltris(methylene))triphosphonic acid (H{sub 6}L{sup 2}) with Fe(III)/Cu(II) nitrate and 4, 4′-bipy or 2, 2′-bipy result in five new phosphonates, namely, [FeHL{sup 1}(H{sub 2}O)]{sub n} (1), {[Cu_2L"1(4, 4′-bipy)_0_._5(H_2O)]·0.25H_2O}{sub n} (2), [Cu{sub 2}H{sub 2}L{sup 2}(4, 4′-bipy)(H{sub 2}O){sub 2}]{sub n} (3), [CuH{sub 4}L{sup 2}(2, 2′-bipy)]{sub n} (4) and [Cu{sub 2}(H{sub 4}L{sup 2}){sub 2}(2, 2′-bipy){sub 2}(H{sub 2}O){sub 4}] (5), respectively. X-ray structural analysis indicates that 2 and 3 feature 3D framework structures with 3, 3, 3, 4-connected and 4, 5-connected topology; 1 and 4 display 1D chain structures, while 5 has a dimer structure. The di- or trisphosphonate ligands (H{sub 4}L{sup 1} and H{sub 6}L{sup 2}) in the five complexes adopt different coordination modes and auxiliary ligands (4, 4′-bipy and 2, 2′-bipy) control the dimensionality of the final complexes. The superoxide dismutase (SOD) activities of 2–5 were assessed by modified nitrobluetetrazolium (NBT) assay. The IC{sub 50} values required to yield 50% inhibition of the reduction of NBT are 1.84, 2.02, 6.95 and 1.70 μM for 2–5, respectively, demonstrating better SOD-like activity than most of the Cu-SOD mimic enzymes reported in literatures. Among them, 2 and 3 have good stability and reusability under the simulative physiological conditions. The dismutation of 4 and 5 toward superoxide anion radicals can be attributed to the synergistic effect of the decomposition products of 4 and 5 containing Cu(II) and [H{sub 4}L{sup 2}]{sup 2-} with or without 2, 2′-bipy or Cu(II) and 2, 2′-bipy, which were identified by liquid mass spectrometry (LC/MS). The magnetic properties of complexes 1–4 were also investigated, indicating the presence of magnetic exchange between metal ions. The results show that 1 and 3 exhibit antiferromagnetic interactions, while 2 and 4 show ferromagnetic interactions between metal centres.

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

Non-heme High-Spin {FeNO} 6–8 Complexes: One Ligand Platform Can Do It All

Heme and non-heme iron-nitrosyl complexes are important intermediates in biology. While there are numerous examples of low-spin heme iron-nitrosyl complexes in different oxidation states, much less is known about high-spin (hs) non-heme iron-nitrosyls in oxidation states other than the formally ferrous NO adducts ({FeNO} 7 in the Enemark-Feltham notation). In this study, we present a complete series of hs-{Fe-NO} 6-8 complexes using the TMG 3 tren coligand. Redox transformations from the hs-{FeNO} 7 complex [Fe(TMG 3 tren)(NO)] 2+ to its {FeNO} 6 and {FeNO} 8 analogs do not alter the coordination environment of the iron center, allowing for detailed comparisons between these species. Here, we present new MCD, NRVS, XANES/EXAFS and Mössbauer data, demonstrating that these redox transformations are metal based, which allows us to access hs-Fe(II)-NO¯, Fe(III)-NO¯ and Fe(IV)-NO¯ complexes. Vibrational data, analyzed by NCA, directly quantify changes in Fe-NO bonding along this series. Optical data allow for the identification of a “spectator” charge-transfer transition that, together with Mössbauer and XAS data, directly monitors electronic changes of the Fe center. Using EXAFS, we are also now able to provide structural data for all complexes. The magnetic properties of the complexes are further analyzed (from magnetic Mössbauer). The properties of our hs-{FeNO} 6-8 complexes are then contrasted to corresponding, low-spin iron-nitrosyl complexes, where redox transformations are generally NO-centered. The hs-{FeNO} 8 complex can further be protonated by weak acids, and the product of this reaction is characterized. Altogether, these results provide unprecedented insight into the properties of biologically relevant non-heme iron-nitrosyl complexes in three relevant oxidation states.

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

Structural and Hysteretic Properties of La{sub 0.7}Ca{sub 0.3−x}Sr{sub x}MnO{sub 3} Manganites Using the Hydrothermal Route

Manganitesof La{sub 0.7}Ca{sub 0.3−x}Sr{sub x}MnO{sub 3} have been produced using the hydrothermal method. The influence of the concentration of La, Ca, and Sr on the structural, morphological, and magnetic properties was studied and analyzed. The x-ray diffraction studies showed the occurrence of orthorombic and trigonal symmetries in the crystalline structure, depending on the stoichiometry. X-ray photoelectron spectroscopy studies were performed, showing the presence of the elements La3d, Ca2p, Sr3d, Mn2p, and O1s. In all samples, a deficiency of oxygen was observed and ascribed to hydroxide formation. The FTIR spectra shows the Mn–O–Mn bonds in the stretching vibration mode; on the other hand, a great relative amount of Mn{sup 4+} ions that are not included in the manganite phase was observed. Furthermore, morphology analyses developed using scanning electron microscopy showed cauliflower-type microstructures in all samples. The dependence of magnetization on magnetic field was also studied where a low coercivity and a high-saturation magnetization were evidenced. Values of the squareness ratio coefficient ranged between 0.0587 and 0.0867, indicating that the individual particles exhibit a strong random anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effect of Nd Substitution on Properties of Multiferroic Bismuth Ferrite Synthesized by Sol-Gel Auto-combustion Method

In this work, pure and Nd-doped bismuth ferrite nanocrystals with the general formula of Bi{sub 1−x}Nd{sub x}FeO{sub 3} (x = 0, 0.05, 0.1, 0.15, 0.2) were synthesized via the sol-gel auto-combustion method at two different calcination temperatures (550 and 650{sup ∘}C). Phase analysis and investigating structural, thermal, and magnetic properties and measuring the size of nanoparticles have been done by using X-ray diffraction (XRD), transmission electron microscopy (TEM), thermogravimetric and differential thermal analysis (TG/DTA), and vibrating sample magnetometry (VSM). For undoped BiFeO{sub 3} (BFO), increasing calcination temperature will increase the average size of nanocrystals. On the other hand, the average size of nanoparticles is decreased by increasing the concentration of neodymium in the structure of BFO. By entering neodymium to the structure of bismuth ferrite at the calcination temperature of 550{sup ∘}C, the ferromagnetic properties decline. However, at 650{sup ∘}C, ferromagnetic properties are improved which is due to a fall in the number of Fe{sup 2+} ions. In this case, by decreasing the Fe{sup 2+} ions, remanent and saturation magnetization increase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Spin Glass Behavior and Giant Magnetoresistance via Aliovalent Fe/Ni Alloying in Amorphous Tetrathiafulvalene-Tetrathiolate Coordination Polymers

The discovery of materials with programmable combinations of charge transport and magnetic properties is a major goal in synthetic chemistry. Molecular materials, such as coordination polymers (CPs), are emerging candidates in this field due to their synthetic modularity. While there are many conductive or magnetic CPs, single-component examples with both properties are still emerging. Here, in this work, we demonstrate how alloying paramagnetic Fe(III) centers into a highly conductive Ni-based CP results in novel amorphous materials with high conductivity and giant magnetoresistance. Aliovalent doping with paramagnetic Fe centers engenders spin-glass transitions, while Ni and the strong π-stacking interactions of tetrathiafulvalene-2,3,6,7-tetrathiolate (TTFtt) ligands support conductivity. Ni 0.69 Fe 0.31 TTFtt has σ ≈ 200 S/cm and a 1.8 K magnetoresistance of −52% at 5 T, among the largest for any coordination solid. This work demonstrates not only how magnetic properties can be rationally incorporated into conductive CPs, but also an unexpected potential for amorphous materials in spintronic applications.

amorphous materials↗
DOE OSTI2017

Growth and magnetoelectric properties of (00l)-oriented La{sub 0.67}Sr{sub 0.33}MnO{sub 3}/PbZr{sub 0.52}Ti{sub 0.48}O{sub 3} heterostructure films

C-axis oriented La{sub 0.67}Sr{sub 0.33}MnO{sub 3}(LSMO)/PbZr{sub 0.52}Ti{sub 0.48}O{sub 3}(PZT) films are fabricated successfully by sol-gel method on LaAlO{sub 3} (00l) substrates. The structure, composition and morphology of the films are investigated by X-ray diffractometer (XRD, θ-2θ scan, ω-scan and ϕ-scan), X-ray photoelectron spectroscope (XPS), field emission scanning electron microscope (FESEM) and high resolution transmission electron microscope (HRTEM). The electric and magnetic properties of randomly and c-axis oriented LSMO/PZT films are studied comparably using ferroelectric testing apparatus and physical property measurement system (PPMS). It is found that the epitaxial LSMO/PZT composite films show well controlled growth along c-axis, and much better magnetoelectric properties than the randomly oriented ones. The ME voltage coefficient increases from 23 mV cm{sup −1} Oe{sup −1} for the randomly oriented LSMO/PZT composite films to 52 mV cm{sup −1} Oe{sup −1} for c-axis oriented ones prepared using the low cost sol-gel method presented in this study, which shows high potential in promising applications. - Highlights: •Epitaxial LSMO/PZT films were fabricated successfully by sol-gel method on LAO (00l) substrate. •The prepared films exhibit well-defined multiferroic properties for the epitaxial LSMO/PZT films. •Epitaxial LSMO/PZT films show superior magnetoelectric properties to the randomly oriented ones.

36 MATERIALS SCIENCE↗
DOE OSTI2016

AGE dependence of wind properties for solar-type stars: a 3D study

Young and rapidly rotating stars are known for intense, dynamo-generated magnetic fields. Spectropolarimetric observations of those stars in precisely aged clusters are key input for gyrochronology and magnetochronology. We use Zeeman Doppler imaging maps of several young K-type stars of similar mass and radius but with various ages and rotational periods to perform three-dimensional (3D) numerical MHD simulations of their coronae and follow the evolution of their magnetic properties with age. Those simulations yield the coronal structure as well as the instant torque exerted by the magnetized, rotating wind on the star. As stars get older, we find that the angular momentum loss decreases with Ω{sub ⋆}{sup 3}, which is the reason for the convergence on the Skumanich law. For the youngest stars of our sample, the angular momentum loss shows signs of saturation around 8Ω{sub ⊙}, which is a common value used in spin evolution models for K-type stars. We compare these results to semianalytical models and existing braking laws. We observe a complex wind-speed distribution for the youngest stars with slow, intermediate, and fast wind components, which are the result of interaction with intense and nonaxisymmetric magnetic fields. Consequently, in our simulations, the stellar wind structure in the equatorial plane of young stars varies significantly from a solar configuration, delivering insight about the past of the solar system interplanetary medium.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6

Abstract A member of the RMn 6 Sn 6 rare-earth family materials, TbMn 6 Sn 6 , recently showed experimental signatures of the realization of a quantum-limit Chern magnet. In this work, we use quantum Monte Carlo (QMC) and density functional theory with Hubbard U (DFT + U ) calculations to examine the electronic structure of TbMn 6 Sn 6 . To do so, we optimize accurate, correlation-consistent pseudopotentials for Tb and Sn using coupled-cluster and configuration–interaction (CI) methods. We find that DFT + U and single-reference QMC calculations suffer from the same overestimation of the magnetic moments as meta-GGA and hybrid density functional approximations. Our findings point to the need for improved orbitals/wavefunctions for this class of materials, such as natural orbitals from CI, or for the inclusion of multi-reference effects that capture the static correlations for an accurate prediction of magnetic properties. DFT + U with Mn magnetic moments adjusted to the experiment predict the Dirac crossing in bulk to be close to the Fermi level, within ~120 meV, in agreement with the experiments. Our non-stoichiometric slab calculations show that the Dirac crossing approaches even closer to the Fermi level, suggesting the possible realization of Chern magnetism in this limit.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetic and structural properties of Mn X NiSn ( X = Mn, Fe, Co)

Crystal structure and magnetic properties of Heusler alloys MnXNiSn (X = Mn, Fe, Co) are investigated using density functional theory and compared with experimental results. The parent alloy Mn 2 NiSn, which crystallizes in the inverse Heusler structure, is found to be ferrimagnetic, in agreement with previous experimental and theoretical work. The Fe and Co substitutions cause the alloys to assume a fairly well-ordered Y structure and enhance the magnetization substantially. We find that the strong nearest neighbour Mn-X exchange changes from antiferromagnetic (X = Mn) to ferromagnetic (X = Fe, Co), which explains and actually overestimates the experimental changes. A striking feature of the system is that Fe and Co have opposite effects on the Curie temperature T c : they reduce and enhance T c , respectively. We qualitatively explain this behaviour in terms of two-sublattice model based on the nearest-neighbour exchange.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Perspective: Ferromagnetic Liquids

Mechanical jamming of nanoparticles at liquid–liquid interfaces has evolved into a versatile approach to structure liquids with solid-state properties. Ferromagnetic liquids obtain their physical and magnetic properties, including a remanent magnetization that distinguishes them from ferrofluids, from the jamming of magnetic nanoparticles assembled at the interface between two distinct liquids to minimize surface tension. This perspective provides an overview of recent progress and discusses future directions, challenges and potential applications of jamming magnetic nanoparticles with regard to 3D nano-magnetism. We address the formation and characterization of curved magnetic geometries, and spin frustration between dipole-coupled nanostructures, and advance our understanding of particle jamming at liquid–liquid interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2016

A first principles study of half-metallic ferromagnetism in In{sub 1-x}Ti{sub x}P (x = 0.06) diluted magnetic semiconductor

A first principles approach has been used to calculate the electronic and magnetic properties of In{sub 1-x}Ti{sub x}P (x = 0.06) diluted magnetic semiconductor (DMS) compound. The calculations have been carried out using the highly precise all electron full potential Linear Augmented Plane Wave (FPLAPW) method within generalized gradient approximation (GGA) as exchange-correlation (XC) potentials. The estimated results show that the Ti-doping generate robust half metallic ferromagnetism with the 100% spin polarization at Fermi level (E{sub F}) in InP. Due to this peculiar property, the resultant compound behaves as true half-metallic ferromagnet which is best suited for spintronic applications. The total magnetic moments of this compound are mainly due to Ti-d states present at E{sub F} with almost negligible contribution from other atoms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Local Magnetic Fields in Diamagnetic BiSbO{sub 4} and Bi{sub 4}Si{sub 3}O{sub 12}: {sup 209}Bi NQR

Local magnetic fields H{sub loc} exceeding significantly the magnetic fields produced by nuclear magnetic moments (a few gauss) have been detected in bismuth compounds with valence s and p electrons, which are generally believed to be diamagnetic, by the methods based on measuring the parameters of nuclear quadrupole interactions. Anomalies in the magnetic properties of BiSbO{sub 4} and Bi{sub 4}Si{sub 3}O{sub 12} were clearly manifested when analyzing the line shapes in their {sup 209}Bi NQR spectra. The quartet of lines for the lower transition ν{sub 1} (Δm = 1/2–3/2) in the spectrum of Bi{sub 4}Si{sub 3}O{sub 12} in zero external magnetic field and the doublets for the lines of all other transitions in the spectrum of BiSbO{sub 4} at unique crystallographic positions of bismuth atoms in the crystal lattices of the compounds suggest a magnetic nature of the splittings. The most probable values of H{sub loc} in these compounds are those in the range from 40 to 100 G.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Epitaxial growth and properties of La{sub 0.7}Sr{sub 0.3}MnO{sub 3} thin films with micrometer wide atomic terraces

La{sub 0.7}Sr{sub 0.3}MnO{sub 3} (LSMO) films with extraordinarily wide atomic terraces are epitaxially grown on SrTiO{sub 3} (100) substrates by pulsed laser deposition. Atomic force microscopy measurements on the LSMO films show that the atomic step is ∼4 Å and the atomic terrace width is more than 2 μm. For a 20 monolayers (MLs) LSMO film, the magnetization is determined to be 255 ± 15 emu/cm{sup 3} at room temperature, corresponding to 1.70 ± 0.11 μ{sub B} per Mn atom. As the thickness of LSMO increases from 8 MLs to 20 MLs, the critical thickness for the temperature dependent insulator-to-metal behavior transition is shown to be 9 MLs. Furthermore, post-annealing in oxygen environment improves the electron transport and magnetic properties of the LSMO films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗