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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Study of the Effect of Pr Doping on Structural, Morphological and Magnetic Properties of Nickel Ferrite

Praseodymium rare earth ion (Pr{sup 3+}) doped nickel ferrite (NiFe{sub 2−x}Pr{sub x}O{sub 4}, 0 < x< 0.1) nanocrystals (NFPO) were synthesized by hydrothermal method. The structural, morphological and magnetic properties of the prepared samples have been studied. The x-ray diffraction (XRD) and fourier transform infrared (FTIR) techniques confirmed the phase formation of the NFPO nanocrystals. The average crystallite size of NFPO nanoparticles found to be in the range 39 to 44 nm. The presence of Pr ions in NFPO was confirmed by energy-dispersive x-ray (EDX) analysis. It has been observed that after a certain amount of Pr doping, the morphology of the nanocrystals starts changing from nano-octahedrons to nanorods shape, as confirmed by transmission electron microscopy (TEM). Also, the magnetic properties of the prepared nanocrystals were measured using physical properties measurement system (PPMS) at 10 K and 300 K. The saturation magnetization (Ms) first decreases with the increasing loading amount of Pr ions up to (x = 0.025) and later it increases at both the temperatures. However, the value of coercivity shows an increasing trend with the increasing amount of Pr ions in NFPO at room temperature.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Ce-Doping and Reduction Annealing Effects on Magnetic Properties of Pr{sub 2-x}Ce{sub x}CuO{sub 4} Nanoparticles

Magnetic properties of reduced T’-Pr{sub 2-x}Ce{sub x}CuO{sub 4} (T’-PCCO) nanoparticles with x = 0, 0.10, and 0.15 have been investigated. The T’-PCCO samples were synthesized by the chemically dissolved method with HNO{sub 3} as dissolving agents and by the succeeding calcination at 1000 °C for 15 h in air. The reduced T’-PCCO samples were obtained by the reduction annealing at 700 °C for 10 h in Argon atmosphere and at 700 °C for 12 h in vacuum. Rietveld analyses of the X-ray diffraction (XRD) patterns for all the samples have revealed dependences of the c-axis length and the crystal size on the Ce doping and the reduction annealing. XRD analyses and transmission electron microscopy (TEM) images have confirmed T’-PCCO nanoparticles with the size of around 40–100 nm. Magnetic properties of all the T’-PCCO nanoparticles were studied by a superconducting quantum interference device (SQUID) showing a dominant paramagnetic feature with very weak ferromagnetism in the as-synthesized samples at room temperature. It has changed to a pure paramagnetic feature after the reduction annealing in argon atmosphere and an enhanced ferromagnetism through vacuum annealing. This is probably due to the change in the number of oxygen vacancies through the defect recovery and the removal of excess oxygen after both reduction annealing processes, respectively.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Topological and magnetic properties of a noncollinear spin state on a honeycomb lattice in a magnetic field

Here, this paper studies the topological and magnetic properties of a noncollinear spin state on a honeycomb lattice that evolves from coplanar to ferromagnetic with a magnetic field applied along the z axis. The coplanar state is stabilized by nearest-neighbor ferromagnetic interactions, single-ion anisotropy along z, and DzyaloshinskiiMoriya interactions between next-nearest-neighbor sites. Below the critical field H$_c$ that aligns the spins, the magnetic unit cell contains six sites and the spin dynamics contains six magnon modes. Although the classical energy is degenerate with respect to the twist angle φ between nearest-neighbor spins, the dependence of the free energy on φ at low temperatures is dominated by the magnon zero-point energy, which contains extremum at φ = πl/3 for integer l. The only unique ground states GS(φ) have l = 0 or 1. For H < H$'_c$, the zero-point energy has minima at even l and the ground state is GS(0); for H$'_c$ < H < H$'_c$, the zero-point energy has minima at odd l and the ground state is GS(π/3). In GS(0), the magnon density of states exhibits five distinct topological phases with increasing field associated with the opening and closing of energy gaps between two or three magnonic bands. While the Berry curvature vanishes for the coplanar φ = 0 phase in zero field, the Berry curvature and Chern numbers exhibit signatures of the five topological phases below H$'_c$. Whereas the Berry curvature and Chern number are sensitive to changes in the magnon density of states within GS(π/3), the inelastic spectrum S(k,ω) is sensitive to changes in the intensity of the magnon modes in the different magnetic phases GS(0) and GS(π/3) rather than the five topological phases within GS(π/3).

Fishman, Randy S. [Oak Ridge National Laboratory (↗
DOE OSTI2018

Magnetic Properties of (Pr{sub 1−x}Sm{sub x}){sub 2}Fe{sub 14}B Melt-Spun Ribbons

The magnetic properties of (Pr{sub 1−x}Sm{sub x}){sub 2}Fe{sub 14}B melt-spun ribbons with varying x from 0 to 1.0 have been studied. The optimum magnetic property of Pr{sub 2}Fe{sub 14}B ribbon could be obtained with the surface velocity of copper wheel of 30 m/s. By melt spinning method, the formation of α-Fe impurity phase in the (Pr{sub 1−x}Sm{sub x}){sub 2}Fe{sub 14}B samples could be inhibited, and the grain could be aligned. Sm element could be incorporated into Pr{sub 2}Fe{sub 14}B main crystalline phase and formed (Pr,Sm){sub 2}Fe{sub 14}B phase with space group P4{sub 2}/mnm. The Curie temperature (T{sub c}) of the (Pr{sub 1−x}Sm{sub x}){sub 2}Fe{sub 14}B ribbons increases gradually from 555 to 617 K with the increase of Sm content x. Both the coercivity (H{sub c}) and remanence ratio (M{sub r}/M{sub s}) decrease firstly and then increase with the Sm content increasing. As long as the Sm content x does not exceed 0.1, the squareness of demagnetization curve remains good. The critical value of transition from easy c-axis to easy plane for (Pr{sub 1−x}Sm{sub x}){sub 2}Fe{sub 14}B ribbons is x= 0.6. When the Sm content x is up to 0.6, all the H{sub c} and M{sub r}/M{sub s} achieved the minimum value, i.e., 243 Oe and 0.346, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Magnetic Properties of SiC Monolayer with Different Nonmagnetic Metal Dopants

Magnetic properties of nonmagnetic metal-doped SiC monolayer are studied by the first-principle methods. Different dopants (Al, Ga, Li, Mg, and Na) and doping sites are considered. Similar as transition metal (TM) atoms, magnetic behavior appears in Li-, Mg-, and Na-doped system. In addition, according to the calculated binding energies, the Mg-doped system is the most stable-formed system among the above three magnetic materials. Hence, we study the ferromagnetic interaction in two Mg-doped SiC monolayer. Interestingly, as the increasing Mg–Mg distance, the interaction between two Mg dopants prefers to a long-range FM coupling, which originates from a p-d exchange-like s-p coupling interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Control over the Magnetic Properties of Co/Pt-based Multilayered Periodical Structures

The possibility of controlling the magnetic properties of multilayered periodical structures with perpendicular magnetic anisotropy, which are based on cobalt and platinum films, have been studied. The multilayered films composed by layers with a thickness of 0.5–1.0 nm were subjected to two types of actions: vacuum annealing at different temperatures and irradiation by helium ion beams. Transmission electron microscopy has shown that the irradiation by He{sup +} ions with energy of 30 keV leads to material mixing in the layers since at vacuum annealing the layered structure of films is kept. In this case, as a result of thermal annealing, the coercive force of the structure increases significantly, and upon irradiation with helium ions, the coercivity of the films decreases to a change in the type of anisotropy from perpendicular to “easy plane” anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Modification of Magnetic Properties of a CoPt Alloy by Ion Irradiation

The effect of ion irradiation on magnetic properties of films of the ferromagnetic CoPt alloy fabricated by electron-beam evaporation has been studied. It is found that the coercive force decreases and the lateral component of the easy-magnetization axis increases as the He{sup +} ion fluence increases from 1 × 10{sup 13} to 1 × 10{sup 16} cm{sup –2}. It is shown by magnetic-force microscopy and the Mandelstam–Brillouin spectroscopy that the formation of isolated circle domains which are magnetic skirmions in the CoPt layer is activated at certain ion-irradiation fluence (3 × 10{sup 14} cm{sup –2}).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Effects of Lanthanum on Structural and Magnetic Properties of Sr{sub 1−x}La{sub (2/3)x}Fe{sub 12}O{sub 19} Compounds: Theoretical and Experimental Results

Pre-reacted powders of M-type strontium hexaferrites with chemical composition Sr{sub 1−x}La{sub (2/3)x}Fe{sub 12}O{sub 19} (x = 0.1, 0.2, 0.3 0.5, 0.6) were obtained from the conventional solid state reaction method. The final consolidation of these powders were performed by using the spark plasma sintering (SPS) technique. The influence of the La{sup 3+} content on the crystal structure and the magnetic properties of the samples were investigated firstly under the framework of a phenomenological model that predicted the cation substitution/distribution in the Sr and/or Fe sites. The theoretical results indicated that La{sup 3+} ion mostly occupies the Sr{sup 2+} site. It was also found that as La content increased, a certain amount of Fe{sup 2+} ions appear as a consequence of the Fe{sup 3+} to Fe{sup 2+} reduction. However, the Fe{sup 2+} occupied preferably the 12k and 4f1 iron sites. The magnetic properties of the obtained samples were assessed by measurements performed in a vibrating sample magnetometer. Also, X-ray diffraction (XRD) measurements were presented as a complementary characterization. We have found that the magnetic properties of the samples degraded as the La{sup 3+} content increased and the increase of the Fe{sub 2}O{sub 3} impurity phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Investigation on Electronic Structures and Magnetic Properties of (Mn, Ga) Co-doped SnO{sub 2}

The electronic structures and magnetic properties of (Mn, Ga) co-doped SnO{sub 2} are studied by the first-principles calculations in full-potential linearized augmented plane wave formalism within generalized gradient approximations. We found that the doped system favors the ferromagnetic state and room-temperature ferromagnetism can be expected in it. The origin of ferromagnetism can be attributed to p-d exchange interactions as Mn-O-Mn. Ga acts as acceptor in (Mn, Ga) co-doped SnO{sub 2} host and can donate one hole, increasing the carrier concentration and thus leading to a more stable ferromagnetic state. These results suggest a recipe obtaining promising dilute magnetic semiconductor by doping nonmagnetic elements in SnO{sub 2} matrix.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effect of Si on the Glass Formation and Magnetic Properties of High-Iron Fe–Zr–Si Alloys

High-iron Fe–Zr–Si amorphous ribbons were fabricated through the melt-spun technique. Then, the effects of Si content on the glass-forming ability and magnetic properties of Fe{sub 90−x}Zr{sub 10}Si{sub x} (x = 1, 2, 3, 4, 5, 10) alloys were investigated. Results showed that the amorphous structure only formed in an alloy composition of 3 at.% Si. Moreover, α-Fe(Si) and Fe{sub 3}Zr phase appeared gradually when Si was added. Fe{sub 87}Zr{sub 10}Si{sub 3} alloy is a unique amorphous structure in Fe{sub 90−x}Zr{sub 10}Si{sub x} ribbons. The peak temperatures of the two crystallization stages were 464 and 600 {sup ∘}C. The saturation magnetization (M{sub s}) values of the alloys ranged from 91.2 to 132.3 emu/g, and all had an initial increase before decreasing and their coercivity (H{sub c}) values increased with increased Si content. The Fe{sub 87}Zr{sub 10}Si{sub 3} amorphous alloy exhibited a low H{sub c} value of approximately 39.1 A/m, which shows good magnetic properties in the as-quenched state. After annealing, the M{sub s} of the amorphous sample considerably improved, particularly reaching 165.3 emu/g at 600 {sup ∘}C.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Impact of Isotropic Strain on Magnetic Properties of Monolayer MoSe{sub 2}-Doped with Nonmagnetic Metal and Nonmetal Atoms

Electronic and magnetic properties of MoSe{sub 2} monolayer doped with different nonmagnetic metal (Ag, Al, Li, Mg, and Na) and nonmetal (B, C, F, N, and O) elements have been studied by using the density functional theory calculations. Magnetism has been induced by Ag, Al, and Mg doping. Then, we further have studied the effect of strain on the magnetism in Al-doped MoSe{sub 2} monolayer. We have applied an isotropic strain on the system. On the one hand, the magnetism disappeared while the compressive strain was applied. On the other hand, the magnetism kept stable under the tensile strain. Moreover, we investigated the magnetic coupling in two-Al-doped MoSe{sub 2} structures under the tensile strain. Interestingly, a tunable magnetic coupling was observed. As the tensile strain increased, the magnetic coupling between two Al atoms switched from nonmagnetic (NM) to ferromagnetic (FM). The analysis of the PDOS showed that the p-p hybridization between the Al atom and its neighboring Se atoms resulted in such magnetic behavior. Our results showed some potential applications in MoSe{sub 2}-based nanoscale devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Structural, morphological, optical and magnetic properties of Ag3(2+x)InxNb4-xO11+δ (0.25 ≤ x ≤ 1.0) nanoparticles synthesized by sol–gel method

Highlights: • Novel Ag{sub 3 (2+x)} In{sub x}Nb{sub 4-x}O{sub 11+δ} nanoparticles were synthesized by sol-gel method and studied their optical magnetic properties. • XRD studies confirm the single-phase monoclinic lattice structure with P2/m space group. • Morphology, purity and homogeneity of samples were confirmed by SEM images, EDX and X-ray mapping. • The absorption spectra and tauc plots confirms the semiconductor nature of the samples. • Magnetic studies reveals the ferromagnetic behavior of the samples at room temperature. - Abstract: Herein, we report the structure, morphology, optical and magnetic properties of novel Ag{sub 3 (2+x)} In{sub x}Nb{sub 4-x}O{sub 11+δ} (0.25 ≤ × ≤ 1.0; A1–A4) nanoparticles prepared by sol-gel technique. The samples were studied using X-ray diffraction, electron microscopy, diffuse reflectance spectroscopy, vibrating sample magnetometer, and electron spin resonance. X-ray diffraction studies confirm the formation of monoclinic lattice type with P2/m space group. Purity and homogeneity of the samples were confirmed by X-ray mapping. The semiconductor nature of the samples was identified by optical absorption spectra which indicate an inter-band transition from the oxygen 2p to niobium 4d electronic states. The magnetization plots reveal the room temperature ferromagnetic behavior of the samples.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Effect of Fe and Ti Substitution Doping on Magnetic Property of Monolayer CrSi{sub 2}: a First-Principle Investigation

First-principle calculations based on spin-polarized density functional theory were performed to investigate the effect of Fe and Ti substitution doping on magnetic property of monolayer CrSi{sub 2}. The electronic structures, binding energy, magnetic property, total and partial density of states, and spin density of monolayer CrSi{sub 2} are scientifically studied. Calculated binding energy reveals that Fe-doped monolayer CrSi{sub 2} is more stable than Ti-doped monolayer CrSi{sub 2}. The local magnetic moment of Fe and Ti atom all decrease compared with atomic moment in free gas phase due to variation of bond interaction and charge transfer. The density of states and spin-density results indicated that local magnetic moment of Fe atom is larger than Ti atom, leading to total magnetic moment of Fe-doped monolayer CrSi{sub 2} is bigger than Ti-doped monolayer CrSi{sub 2}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Magnetic Properties Tuning via Broad Range Site Deficiency in Square Net Material UCu x Bi 2

HfCuSi 2 -type pnictogen compounds have recently been shown to be a versatile platform for designing materials with topologically nontrivial band structures. However, these phases require strict control over the electron count to tune the Fermi level, which can only be achieved in compositions with A 2+ M 2+ Pn 2 and A 3+ M + Pn 2 (A = lanthanides, M = transition metals, Pn = pnictogens P–Bi) charge distribution. While such lanthanide compounds have been thoroughly studied as candidate magnetic topological materials, their heavy element analogs with uranium and bismuth remain largely underexplored. In this report, we present the synthesis of UCu x Bi 2 single crystals and study their magnetic properties. Detailed structural analysis revealed that flux-grown crystals always form as a site-deficient UCu x Bi 2 composition, where x varies between 0.20 and 0.64. Magnetic property measurements revealed a dependence of the magnetic coupling on the Cu site deficiency, linearly changing the Néel temperature from 51 K for UCu 0.60 Bi 2 to 118 K for UCu 0.30 Bi 2 . Moreover, higher Cu concentration promotes a metamagnetic transition in highly magnetically anisotropic UCu 0.60 Bi 2 single crystals. We show that DFT calculations can successfully model site deficiency in the UCu x Sb 2 and UCu x Bi 2 systems. This work paves the way toward using the site deficiency to tune the Fermi level in more ubiquitous A 3+ M 2+ x Pn 2 phases, which previously have not been considered topological candidate materials due to unfavorable electron count.

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

Influence of Ba Substitutions on Microstructure and Magnetic Properties of La–Ca–Co System Permanent Ferrite

La{sub 0.6}Ca{sub 0.4−x}Ba{sub x}O⋅n/2(Fe{sub 1−y}Co{sub y}){sub 2}O{sub 3}(x = 0, 0.05, 0.1, 0.15 and 0.2) permanent ferrite materials were prepared by ceramic technique. The topography and the structure were characterized by scanning electron microscopy (SEM) and x-ray diffraction (XRD), respectively. The magnetic properties were measured using vibrating sample magnetometer (VSM) and digital magnetometer. Single M-phase and flake-like grains were obtained for samples without Ba substitution(x = 0), and the magnetic properties of the pre-sintering La–Ca–Co ferrite were as follows: B{sub r} = 440 mT, H{sub cb} = 296 kA/m, H{sub cj} = 426 kA/m, (BH){sub max} = 36.6 kJ/m{sup 3} and H{sub k}/H{sub cj} = 0.83. When Ca was substituted by Ba, pre-sintered powder presents single M-phase structure and close three-dimensional size of grains, resulting in an improved rectangle ratio of sintered magnet. The rectangle ratio of sintered magnet reaches a maximum of 0.93 when x = 0.1. By optimizing process parameters, M-type La–Ca–Ba–Co sintered magnet was prepared with B{sub r} = 445 mT, H{sub cb} = 337 kA/m, H{sub cj} = 420 kA/m, (BH){sub max} = 38.6 kJ/m{sup 3} and H{sub k}/H{sub cj} = 0.95.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Chemical bonding, phase stability and magnetic property in Sm 2 Fe 17 X 3 (X=H, C, N): A first-principles perspective

As a promising alternative to Nd–Fe–B magnets, the critical rare earth free Sm 2 Fe 17 X 3 (X = C, N) exhibits potential for high-performance magnets. However, their poor phase stability remains a major obstacle to developing bulk magnets. We investigated the phase stability and intrinsic magnetic properties of Sm 2 Fe 17 X 3 (X = H, C, N) using first-principles calculations and chemical bond analysis. The formation energies are negative, while the decomposition energies are −1.53, 0.348, and −0.74 eV per formula unit for X = H, C, and N, respectively, which is responsible for the weak thermal stability. Our chemical bond analysis reveals that the bonding asymmetry between Sm–X and Fe–X interactions creates local structural distortions and degrades the phase stability of Sm 2 Fe 17 X 3 . The project Crystal Orbital Hamilton Population (-pCOHP) analysis indicates that the Sm–X bonding remains positive up to the Fermi level, indicating stable bonding interactions. Here, in contrast, the Fe–X bonding becomes negative near the Fermi level, signifying anti-bonding contributions that reduce structural stability. Interstitial atoms X expand the lattice and enhance Fe magnetic moments, but Fe–X bonding suppresses neighboring Fe moments. Electron transfer from Sm to X modifies the valence state of Sm and the crystal field at the site, contributing to enhanced magnetocrystalline anisotropy in Sm 2 Fe 17 X 3 . Among the interstitial elements, carbon and nitrogen—with their larger atomic radius and higher electronegativity—induce greater lattice expansion and form stronger bonds with neighboring Sm and Fe atoms compared to hydrogen. Consequently, Sm 2 Fe 17 X 3 (X = C and N) exhibits better phase stability and significant improvement in magnetic properties.

Chemical bonding↗
DOE OSTI2019

Electronic and Magnetic Properties of Lanthanum and Strontium Doped Bismuth Ferrite: A First-Principles Study

While bismuth ferrite BiFeO 3 (BFO) is a well studied multiferroic material, its electronic and magnetic properties in the presence of A-site dopants have not been explored widely. Here we report the results of a systematic study of the local electronic structure, spontaneous polarization, and magnetic properties of lanthanum (La) and strontium (Sr) doped rhombohedral bismuth ferrite within density functional theory. An enhanced ferroelectric polarization of 122.43 μ C/cm 2 is predicted in the uniformly doped BiLaFe 2 O 6 . We find that substitution of Sr in the A-site drives the system into a metallic state. The nature of magnetism arises mainly from the B-site Fe exhibiting a G-type antiferromagnetic ordering. Our study finds that upon dopant substitution, the local magnetic moment is decreased and its magnitude is dependent on the distance between the Fe and the dopant atom. The correlation between the local moment and the distance between the Fe and the dopant atom is discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Magnetic Properties of Iron-Doped Bi{sub 2}Se{sub 3}, a Topological Insulator

We study the dc magnetization of a Bi{sub 1.94}Fe{sub 0.06}Se{sub 3} single crystal in the temperature range of 1.9 to 400 K in applied magnetic fields up to 70 kOe for two sample orientations in the applied field. We register three magnetic phase transitions and observe considerable anisotropy of the magnetic properties. The coercive force varies with temperature in a nonmonotonic manner. For the sample in a paramagnetic state, we estimate its magnetic moment per iron atom; its Curie–Weiss temperature is found to be negative. Arrot–Belov plots are constructed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗