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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Mechanism of γ-irradiation induced phase transformations in nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ceramics

The structural, infrared absorption and magnetic property transformations in nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} samples irradiated with different doses (0, 15, 25 and 50 kGy) of γ-irradiation were investigated in this work and a mechanism of phase transformation/decomposition is provided based on the metastable nature of the Mn-atoms in the spinel lattice. The nano-powder sample was prepared by solution combustion route and the pellets of the sample were exposed to γ-radiation. Up to a dose of 25 kGy of γ-radiation, the sample retained the single phase cubic spinel (Fd-3m) structure, but the disorder in the sample increased. On irradiating the sample with 50 kGy γ-radiation, the spinel phase decomposed into new stable phases such as α-Fe{sub 2}O{sub 3} and ZnFe{sub 2}O{sub 4} phases along with amorphous MnO phase, leading to a change in the surface morphology of the sample. Along with the structural transformations the magnetic properties deteriorated due to breakage of the ferrimagnetic order with higher doses of γ-irradiation. Our results are important for the understanding of the stability, durability and performance of the Mn-Zn ferrite based devices used in space applications. - Graphical abstract: The nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ceramic sample transforms to crystalline α-Fe{sub 2}O{sub 3} and ZnFe{sub 2}O{sub 4} phases (and amorphous MnO phase) at a γ-irradiation dose of 50 kGy, as MnO goes out of the spinel lattice. The high energy γ-irradiation causes structural damage to the nanomaterials leading to change in morphology of the sample as seen in the SEM images. - Highlights: • Mn atoms are more unstable in the Mn-Zn ferrite spinel lattice than Zn-atoms. • Displacement of Mn atoms by γ-radiation from the lattice renders phase transformation. • In Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4}, Mn-ferrite cell transforms to crystalline α-Fe{sub 2}O{sub 3} and amorphous MnO. • The stable ZnFe{sub 2}O{sub 4} phase retains its structure even after 50 KGy γ-irradiation. • The γ-irradiation degrades the magnetic properties of Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ceramics.

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

Magnetic transition and defect characteristics of multiferroic CuFe1-xGaxO2 studied by positron annihilation spectra

Highlights: • A systematic investigation of the effect of Ga doping on the structural and magnetic properties of CuFeO{sub 2}. • Crystal defects are determined by positron annihilation spectroscopy. • There is a good correlation between antiferromagnetic stability and lattice distortion. • Crystal defects and interlayer ions in polycrystalline samples influence the magnetic properties. - Abstract: The structure, crystal defects and magnetic properties of multiferroic CuFe{sub 1-x}Ga{sub x}O{sub 2} (CFGO; x = 0–0.07) ceramics are studied systemically. Substitution of Ga{sup 3+} for Fe{sup 3+} shrinks the CFO lattice, decreases the particle size, and causes small liquid phase formation. Positron annihilation spectroscopy demonstrates that all samples contain a considerable number of vacancy defects. The overall defect environment is virtually unaffected by Ga{sup 3+} doping, but the open-volume of the defects is redistributed. Magnetic susceptibility measurements show that Ga doping enhances the strength of the antiferromagnetic interaction between high-spin Fe{sup 3+} ions as a result of reduced magnetic correlation length, but decrease the stability of the antiferromagnetic phase. The antiferromagnetic transition temperature, T{sub N2}, decreases from 11 K for x = 0 to 8 K for x = 0.07, and this destabilization of the antiferromagnetic phase is closely related to the crystal structure and defects, which are discussed in detail in this work.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Synthesis and characterization of Gd-doped magnetite nanoparticles

There has been rising interest in the synthesis of magnetite nanoparticles due to their importance in biomedical and technological applications. Tunable magnetic properties of magnetite nanoparticles to meet specific requirements will greatly expand the spectrum of applications. Tremendous efforts have been devoted to studying and controlling the size, shape and magnetic properties of magnetite nanoparticles. We investigate gadolinium (Gd) doping to influence the growth process as well as magnetic properties of magnetite nanocrystals via a simple co-precipitation method under mild conditions in aqueous media. Gd doping was found to affect the growth process leading to synthesis of controllable particle sizes under the conditions tested (0–10 at% Gd 3+ ). Typically, undoped and 5 at% Gd-doped magnetite nanoparticles were found to have crystal sizes of about 18 and 44 nm, respectively, supported by X-ray diffraction and transmission electron microscopy. These results showed that Gd-doped nanoparticles retained the magnetite crystal structure, with Gd 3+ randomly incorporated in the crystal lattice, probably in the octahedral sites. The composition of 5 at% Gd-doped magnetite was Fe (3-x) Gd x O 4 (x=0.085±0.002), as determined by inductively coupled plasma mass spectrometry. 5 at% Gd-doped nanoparticles exhibited ferrimagnetic properties with small coercivity (~65 Oe) and slightly decreased magnetization at 260 K in contrast to the undoped, superparamagnetic magnetite nanoparticles. Templation by the bacterial biomineralization protein Mms6 did not appear to affect the growth of the Gd-doped magnetite particles synthesized by this method.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ab initio studies on structural and thermodynamic properties of magnetic Fe

The present work systematically investigates the total energy, phonon spectra, and thermodynamic properties of different polymorphs of pure Fe, i.e., FCC, BCC, and HCP, with the ab initio approach, considering various magnetic configurations. In general, the calculated energy vs. volume curves and phonon spectra agree well with previous calculations and the experimental data. In addition, their thermodynamic properties are estimated by the quasiharmonic approximation (QHA). Specifically, a superposition approach based on the latest Zentropy theory was utilized to predict magnetic transition temperatures and thermodynamic properties of pure Fe. With the ensemble of the partition function considering the multiplicity of each magnetic microstate, the current work successfully reproduced the Curie/Néel temperature and the Schottky anomaly of heat capacity in FCC, BCC, and HCP Fe purely based on the ab initio input, which exhibits good agreement with the experimental data and CALPHAD modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Structural and Magnetic Behavior of BaAl{sub x}Cr{sub y}Fe{sub 11}O{sub 19} (x + y = 1) Hexagonal Ferrites

The present study aims to analyze barium hexagonal ferrite and its derivation behavior using sol-gel auto-combustion co-doped with Al{sup 3+}/Cr{sup 3+}ions. Also, the effects of dopants on structural and magnetic properties of prepared samples were investigated. To this purpose, the finest powders were preheated at 500 °C for 1 h and calcinated at 900 °C about 2 h. Then, the magnetic powders were characterized by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), and vibrating sample magnetometer (VSM). The XRD patterns show the magnetoplumbite phase. According to the Scherrer equation applied, inserting ions led to a decrease in lattice parameters (a and c) and crystallite size. The morphology of synthesized samples was observed by FESEM and proved the hexagonal shapes of the prepared samples. The nanoparticles sizes were recorded between 59 and 79 nm. Moreover, the magnetic properties of prepared samples were specified by VSM. The saturation magnetization (M{sub s}) and remnant magnetization (M{sub r}) of the synthesized magnetic powders were decreased by inserting Al{sup 3+}/Cr{sup 3+} ions, while coercivity (H{sub c}) increased from 5215 to 7178 Oe. .

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Magnetostrictive loss reduction through stress relief annealing in an FeNi-based metal amorphous nanocomposite

FeNi-based metal amorphous nanocomposite alloys are emerging soft magnetic materials with promise for high-speed motor applications. Here we demonstrate a technique to optimize magnetic properties in toroidal cores wound from strain annealed (Fe 70 Ni 30 ) 80 Nb 4 Si 2 B 14 amorphous metal ribbon (AMR). In-line strain annealing (SA) of the AMR yields a strip permeability that monotonically decreases with increasing SA tensions. After winding into toroidal cores, dramatic changes in magnetic properties are observed and determined to be of magnetostrictive origin. A procedure to re-anneal wound toroidal cores to reduce hysteresis and reverse magnetostrictive effects is developed inclusive of casting curvature effects. Here, we investigate re-annealing temperatures between 300 – 470 °C for cores produced from each SA condition. Magnetic core loss, W L , coercivity, H c , squareness ratio, K r , and permeability, µ r , are measured as a function of (stress relief) re-annealing temperature to optimally achieve W 1T,400Hz = 0.51 W/kg, H c = 2.42 A/m, K r = 0.22, and µ r = 35,300.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Spin Dimer Formation in BaTi{sub 0.67−x}Mn{sub 0.33 + x}O{sub 3} (x = - 0.02, - 0.01, 0, 0.01, and 0.02)

Mn concentration of 6H-Ba{sub 3}Ti{sub 2}MnO{sub 9} was adjusted slightly to deviate from stoichiometric ratios. Our structural analysis shows that the spin dimer may form with Mn concentration slightly higher than stoichiometric. The magnetic properties are explored by combining DC magnetization and X-band (9.4 GHz) electron spin resonance (ESR). DC magnetization shows the signature of combination of frustrated spin and short-range spin. ESR shows that spin dimer can be formed in BaTi{sub 0.65}Mn{sub 0.35}O{sub 3}, while no signature of spin dimer can be found in BaTi{sub 0.69}Mn{sub 0.31}O{sub 3} and Ba{sub 3}Ti{sub 2}MnO{sub 9}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Deconvoluting the Magnetic Structure of the Commensurately Modulated Quinary Zintl Phase Eu 11– x Sr x Zn 4 Sn 2 As 12

The structure, magnetic properties, and 151 Eu and 119 Sn Mössbauer spectra of the solid-solution Eu 11– x Sr x Zn 4 Sn 2 As 12 are presented. A new commensurately modulated structure is described for Eu 11 Zn 4 Sn 2 As 12 ( R 3 m space group, average structure) that closely resembles the original structural description in the monoclinic C 2/ c space group with layers of Eu, puckered hexagonal Zn 2 As 3 sheets, and Zn 2 As 6 ethane-like isolated pillars. The solid-solution Eu 11– x Sr x Zn 4 Sn 2 As 12 (0 < x < 10) is found to crystallize in the commensurately modulated R 3 space group, related to the parent phase but lacking the mirror symmetry. Eu 11 Zn 4 Sn 2 As 12 orders with a saturation plateau at 1 T for 7 of the 11 Eu 2+ cations ferromagnetically coupled (5 K) and shows colossal magnetoresistance at 15 K. The magnetic properties of Eu 11 Zn 4 Sn 2 As 12 are investigated at higher fields, and the ferromagnetic saturation of all 11 Eu 2+ cations occurs at ~8 T. The temperature-dependent magnetic properties of the solid solution were investigated, and a nontrivial structure–magnetization correlation is revealed. The temperature-dependent 151 Eu and 119 Sn Mössbauer spectra confirm that the europium atoms in the structure are all Eu 2+ and that the tin is consistent with an oxidation state of less than four in the intermetallic region. The spectral areas of both Eu(II) and Sn increase at the magnetic transition, indicating a magnetoelastic effect upon magnetic ordering.

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

Hydrogen-Induced Room-Temperature Ferromagnetism in Carbon-Incorporated CdO

Carbon-incorporated CdO (CdO–C) nanocrystallites were synthesised by sol–gel technique including sucrose (C{sub 12}H{sub 22}O{sub 11}) as a source of carbon ions. This investigation aimed to disclose the necessary synthesis conditions to create room-temperature ferromagnetic (RT-FM) properties in host CdO–C system. Therefore, structural, optical and magnetic properties of CdO–C samples were systematically investigated. The X-ray diffraction (XRD) method was used to study the structural properties, and the diffuse reflection spectroscopy (DRS) method was used to study the optical properties. It was established that post-annealing of synthesised samples in H{sub 2} atmosphere could create RT-FM. The experimental results were discussed in the framework of previous studies of other transparent conducting oxides (TCOs). The magnetic properties of CdO–C system were studied here for the first time. It was found that CdO–C nanopowder of tailored FM properties could be used as a candidate for TCO applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Doping Induced Magnetic and Electronic Phase Transitions in the Ferrimagnetic Half-Metallic Mn 4 Al 11 Compound

The future of spintronics and semiconductor applications demands materials with tailored electronic and magnetic properties. Here, this study uses density functional theory to investigate the electronic structure of the half-metallic compound Mn 4 Al 11 under uniaxial strain and in its Ge-substituted derivatives. Strain analysis shows that although the half-metallic band gap collapses under strain beyond −2%, the ferrimagnetic character remains stable. Ge substitution at six inequivalent Al sites in Mn 4 Al 11 results in varying degrees of metallicity and magnetic properties. Substitution at Al═ (000) induces a metal-to-insulator transition with an indirect semiconducting gap of 0.14 eV. Bonding and hybridization analyses reveal that local Mn–Al interactions due to Ge substitution significantly modify the local electronic structure, causing both electronic and magnetic phase transitions. This work highlights the effectiveness of substitutional doping in tuning half-metallicity and magnetic properties in inorganic solids, enabling the design of materials for future technological applications.

alloys↗
DOE OSTI2016

Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet

Structural and magnetic properties of many transition-metal dimers embedded in a defected hexagonal boron nitride monolayer are investigated through density functional calculations to search for systems with magnetic anisotropy energies (MAEs) larger than 30meV. In particular, Ir–Ir@Dh–BN is found to have both large MAE (∼126 meV) and high structural stability against dissociation and diffusion, and it hence can serve as magnetic unit in spintronics and quantum computing devices. This giant MAE mainly results from the spin orbit coupling and the magnetization of the upper Ir atom, which is in a rather isolated environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

First-Principles Statistical Mechanics Study of Magnetic Fluctuations and Order–Disorder in the Spinel LiNi 0.5 Mn 1.5 O 4 Cathode

While significant magnetic interactions exist in lithium transition metal oxides, commonly used as Li-ion cathodes, the interplay between magnetic couplings, disorder, and redox processes remains poorly understood. In this work, we focus on the high-voltage spinel LiNi 0.5 Mn 1.5 O 4 (LNMO) cathode as a model system on which to apply a computational framework that uses first principles-based statistical mechanics methods to predict the finite temperature magnetic properties of materials and provide insights into the complex interplay between magnetic and chemical degrees of freedom. Density functional theory calculations on multiple distinct Ni–Mn orderings within the LNMO system, including the ordered ground-state structure (space group P4332), reveal a preference for a ferrimagnetic arrangement of the Ni and Mn sublattices due to strong antiferromagnetic superexchange interactions between neighboring Mn 4+ and Ni 2+ ions and ferromagnetic Mn–Mn and Ni–Ni couplings, as revealed by magnetic cluster expansions. These results are consistent with qualitative predictions using the Goodenough-Kanamori-Anderson rules. Simulations of the finite temperature magnetic properties of LNMO are conducted using Metropolis Monte Carlo. We find that a “semiclassical” Monte Carlo sampling method based on the Heisenberg Hamiltonian accurately predicts experimental magnetic transition temperatures observed in magnetometry measurements. This study highlights the importance of a robust computational toolkit that accurately captures the complex chemomagnetic interactions and predicts finite temperature magnetic behavior to help analyze experimental magnetic and magnetic resonance spectroscopy data acquired ex situ and operando.

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

Coexistence of Magnetic Orders in Two-Dimensional Magnet CrI3

The magnetic properties in two-dimensional van der Waals materials depend sensitively on structure. CrI 3 , as an example, has been recently demonstrated to exhibit distinct magnetic properties depending on the layer thickness and stacking order. Bulk CrI 3 is ferromagnetic (FM) with a Curie temperature of 61 K and a rhombohedral layer stacking, whereas few-layer CrI 3 has a layered antiferromagnetic (AFM) phase with a lower ordering temperature of 45 K and a monoclinic stacking. In this work, we use cryogenic magnetic force microscopy to investigate CrI 3 flakes in the intermediate thickness range (25–200 nm) and find that the two types of magnetic orders, hence the stacking orders, can coexist in the same flake with a layer of ~13 nm at each surface being in the layered AFM phase similar to few-layer CrI 3 and the rest in the bulk FM phase. The switching of the bulk moment proceeds through a remnant state with nearly compensated magnetic moment along the c-axis, indicating formation of c-axis domains allowed by a weak interlayer coupling strength in the rhombohedral phase. Our research provides a comprehensive picture on the magnetism in CrI 3 and point to the possibility of engineering magnetic heterostructures within the same material.

2D magnets↗
DOE OSTI2018

Interfacial Ferromagnetism in a Co/CdTe Ferromagnet/Semiconductor Quantum Well Hybrid Structure

The magnetization properties of a ferromagnet-semiconductor Co/CdMgTe/CdTe quantum well hybrid structure are investigated by several techniques. Exploiting the proximity effect between acceptor bound holes and magnetic ions we detect the magnetization curves by measuring the circular polarization of photoluminescence in an out-of-plane magnetic field. We show that magnetization originates from interfacial ferromagnet on Co-CdMgTe interface and the proximity effect is caused by magnetization of interfacial Co-CdMgTe ferromagnetic layer whose magnetic properties are very different from Co.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effect of Mechanical Stresses and Annealing on the Magnetic Structure and the Magnetic Impedance of Amorphous CoFeSiBCr Microwires

The structural and magnetic properties of amorphous ferromagnetic microwires can undergo significant measurements under the action of external mechanical stresses and heat treatment. The study of transformations occurring in this case is important for designing various sensors of mechanical stresses, loading, and temperature and also for inducing in the wires a certain type of magnetic anisotropy that plays a significant role in the realization of various effects in them. In this work, the influence of external stresses and annealing on the processes of the magnetization and the magnetic impedance of Co{sub 71}Fe{sub 5}B{sub 11}Si{sub 10}Cr{sub 3} microwires having a low positive magnetostriction (~10{sup -8}) in amorphous state has been studied. The influence of external stresses leads to a sharp change in the character of the magnetization reversal curve, which was due to the change in the sign of the magnetostriction and the type of magnetic anisotropy. The amplitude of higher harmonics and the value of the magnetic impedance, respectively, are sensitive to mechanical stresses. Elastic stresses in the wires with a partial crystallization do not lead to a marked change in the magnetic properties; however, annealing can lead to a substantial increase in the axial magnetic anisotropy of the wires existing in the stressed state. The experimental results are analyzed in the framework of a magnetostriction model of induced magnetic anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Ferromagnetic Nanoparticles of Ising Spin-1 with a Rubik’s Cube Structure: Monte Carlo Simulations

Using Monte Carlo simulations, magnetic properties of the ferromagnetic nanoparticles of Ising spin-1 are investigated in the framework of the Ising model. The system is considered to have a Rubik’s cube structure composed of nanocubes having an equivalent exchange coupling, while, between adjacent nanocubes, the exchange coupling is assumed to vary. Both size effects and system parameters’ influence on phase diagrams of the nanosystem are studied. Thus, the magnetic properties of the system such as the critical temperature, the magnetization, and the coercive field are computed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Controlling Magnetism of F-Adsorbed BN Nanosheets by Applying Isotropic Strain

Magnetic properties of the h-BN monolayer with nonmetal atoms adsorbed are studied by the first-principle methods. Different dopants (C, Cl, F, and O) and adsorption sites are considered. On one hand, magnetic behavior is observed in two-dimensional (2D) BN system with C, Cl, and O atoms and nonmagnetic state is shown in the F-adsorbed system. On the other hand, the F-adsorbed system shows a more stable formed structure among all the systems. Thus, we study the magnetic properties in F-adsorbed 2D-BN system under the applied tensile and compressive strain. Interestingly, as the strain increases, a maximum magnetic moment of 1.12 μ{sub B} is observed, which originates from the p-p hybridization among F, B, and N atoms. Our results suggest some potential applications of the F-adsorbed BN nanosheet.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Spin-torque ferromagnetic resonance measurements utilizing spin Hall magnetoresistance in W/Co 40 Fe 40 B 20 /Mg O structures

Here, we study the magnetic properties of W/Co 40 Fe 40 B 20 (CoFeB)/MgO films using the spin-torque ferromagnetic resonance (ST-FMR) technique. This study takes the advantage of the spin Hall magnetoresistance (SMR) for generating an oscillating resistance, which is one of the necessary requirements for obtaining mixing voltage in the ST-FMR technique. We have measured both the as-grown and the annealed samples with different CoFeB layer thicknesses, which include the in-plane and out-of-plane magnetic anisotropies. The spectra for these two types of anisotropies show distinct signatures. By analyzing the ST-FMR spectra, we extract the effective anisotropy field for both types of samples. In addition, we investigate the influence of CoFeB thickness and annealing on the Gilbert damping constant. Our experiments show that by taking advantage of SMR, the ST-FMR measurement acts as an effective tool with high sensitivity for studying the magnetic properties of ultrathin magnetic films.

42 ENGINEERING↗