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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Effects of Ho-ion substitution on the magnetic properties of the Ca3Co2O6 frustrated spin-chain compound

Highlights: • A great sensitivity of the Ca{sub 3}Co{sub 2}O{sub 6} magnetic behavior to the presence of magnetic foreign cation are emphasized. • As the Ho content increases the ferrimagnetic configuration becomes less stable; and the antiferromagnetic (AFM) interaction enhances gradually. • Antiferromagnetic coupling interaction between Ho{sup 3+} ions are interpreted, The complex micro-mechanism are discussed in detail. - Abstract: Ho{sup 3+}-ion doped spin-chain compounds Ca{sub 3}Co{sub 2-x}Ho{sub x}O{sub 6} (x = 0, 0.05, 0.1, 0.15) were prepared by a conventional solid-state reaction method. Rietveld refinement of the X-ray diffraction patterns at room temperature confirmed the rhombohedral structure with the R 3-bar c space group. The results reveal that the solid solubility of the Ho element in Ca{sub 3}Co{sub 2}O{sub 6} is in the range of x = 0.1–0.15. Magnetic measurement suggests that with the increased Ho content: (1) the ferromagnetic transition temperature Tc and spin freezing temperature T{sub ƒ} decrease obviously; (2) the ferrimagnetic configuration becomes less stable; (3) the dynamic characteristics become slower; and (4) the antiferromagnetic (AFM) interaction enhances gradually. Based on these phenomena, the mechanism was discussed in detail. The magnetic correlation length is broken at a low Ho{sup 3+}-ion level, and the Ho{sup 3+}-ion pair formation along the chain with a high level of doping was interpreted.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Manipulating the metal-to-insulator transition and magnetic properties in manganite thin films via epitaxial strain

Strain engineering of epitaxial transition metal oxide heterostructures offers an intriguing opportunity to control electronic structures by modifying the interplay between spin, charge, orbital, and lattice degrees of freedom. Here, we demonstrate that the electronic structure, magnetic and transport properties of La 0.9 Ba 0.1 MnO 3 thin films can be effectively controlled by epitaxial strain. Spectroscopic studies and first-principles calculations reveal that the orbital occupancy in Mn eg orbitals can be switched from the d 3z 2 -r 2 orbital to the d x 2 -y 2 orbital by varying the strain from compressive to tensile. Further, the change of orbital occupancy associated with Mn 3d-O 2p hybridization leads to dramatic modulation of the magnetic and electronic properties of strained La 0.9 Ba 0.1 MnO 3 thin films. Under moderate tensile strain, an emergent ferromagnetic insulating state with an enhanced ferromagnetic Curie temperature of 215 K is achieved. These findings not only deepen our understanding of electronic structures, magnetic and transport properties in the La 0.9 Ba 0.1 MnO 3 system, but also demonstrate the use of epitaxial strain as an effective knob to tune the electronic structures and related physical properties for potential spintronic device applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Structural, Electric and Magnetic Properties of Bi{sub 2}Sr{sub 2}Ag{sub 0.03}Ca{sub 1}Cu{sub 2}O{sub y} Ceramics Modified by Post-annealing

Polycrystalline Bi{sub 2}Sr{sub 2}Ag{sub 0.03}Ca{sub 1}Cu{sub 2}O{sub y} samples were fabricated using conventional solid-state reaction method. Then, post-annealing temperatures at 730, 780 and 830 {sup ∘}C were applied on samples while time was kept constant at 50 h. Both the x-ray diffraction (XRD) measurement and the scanning electron microscopy (SEM) showed that all samples have high amounts of Bi-2212 phase as the main phase, indicating that the selected starting composition is suitable to analyze the post-annealing effects on the flux pinning properties of Bi-2212 superconductors. In particular, flux pinning performance of Bi-2212 phase is observed from both the magnetic hysteresis loops and J{sub c} values calculated using Bean’s model. The highest J{sub c} value was obtained for sample which was not exposed to the post-annealing treatment. The results clearly show that post-annealing procedure in Bi{sub 2}Sr{sub 2}Ag{sub 0.03}Ca{sub 1}Cu{sub 2}O{sub y} system does not create artificial pinning centres, which lead to the improvements in J{sub c} at high magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Electronic Structures and Magnetic Properties of Transition Metal Doped CsPbI{sub 3} Perovskite Compounds by First-Principles Calculation

Transition metal doped cesium lead halide (CsPbI{sub 3}) perovskite compounds were studied for application in photovoltaic solar cells. Electronic structures, chemical shifts of {sup 207}Pb and {sup 127}I-NMR, vibration modes in infrared and Raman spectra of transition metals (Mn{sup 2+}, Fe{sup 2+} or Cu{sup 2+})-doped CsPbI{sub 3} perovskite compounds were studied by the first-principles calculation using density functional theory. The CsPb(Fe)I{sub 3} perovskite crystals had a slight perturbation of crystal field in the coordination structure. The electron density distribution was delocalized on the 5p orbital of I atom, the 3d orbital of Fe atom and the 6p orbital of Pb atom. The first excited process was based on ligand metal charge transfer from the 5p orbital on I atom to the 3d orbital of Fe atom. The chemical shifts of {sup 127}I-NMR were associated with the electron correlation of electron-nuclear spin interaction and nuclear quadrupole interactions based on electron field graduate. The asymmetric vibrations of Pb–I bonds stretching mode related to electron conductivity with scattering of the carrier diffusion as phonon effectiveness. The slight perturbation of the coordination structure in the CsPb(Fe)I{sub 3} perovskite crystal will improve the photovoltaic and optical properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Magnetic Properties of La-Doped ZnO(0001)–Zn Polar Surface with and without Vacancies: a First-Principle Study

The effects of La doping with and without vacancies on the magnetism of a ZnO(0001)–Zn polar surface were studied using the generalized gradient approximation + U (GGA + U) method of density functional theory to determine the magnetism source of La-doped ZnO. Results revealed that La doping with O vacancy did not cause ZnO ferromagnetism, but La-doped ZnO with Zn vacancy was ferromagnetic. The net magnetic moment was primarily related to the unpaired electron amount of the O 2p state and slightly modified by orbital and anomalous magnetic moments. The anomalous magnetic moment originated from the radiating magnetism moment via quantum electrodynamics and was confirmed to exist via theoretical calculations of magnetism. Formation energy showed that La doping easily generated Zn vacancies in ZnO, but magnetic quenching occurred when the ratio of La ions to Zn vacancies was 2:1. The unpaired O 2p electrons induced by Zn vacancies were the magnetism source of La-doped ZnO. Moreover, the Curie temperature of La-doped ZnO with Zn vacancy reached room temperature. Results showed that the ZnO(0001)–Zn polar surface can be utilized as the surface of ZnO-based diluted magnetic semiconductors because of its unipolarity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Inkjet Printing of Magnetic Particles Toward Anisotropic Magnetic Properties

Unique properties of one-dimensional assemblies of particles have attracted great attention during the past decades, particularly with respect to the potential for anisotropic magnetism. Patterned films can be created using inkjet printing; however, drying of particle-laden colloidal droplets on solid surfaces is usually accompanied by the well-known coffee-ring effect, deteriorating both the uniformity and resolution of the printed configurations. Here, we examine the effect of externally applied magnetic field on particle deposition patterns. Ferromagnetic Gd 5 Si 4 particles were formulated in terpineol oil and directly deposited via magnetic field-assisted inkjet printing on a photopaper to generate patterned films with suppressed coffee-ring effect. The particle deposition morphology is determined by both solvent imbibition and particle-magnetic field interactions. Three characteristic times are considered, namely, the critical time for solvent imbibition into the substrate (t im ), the time it takes for particles to form chains in the presence of the magnetic field (t ch ), and the time in which the particles reach the substrate in the direction normal to the substrate (t pz ). The characteristic time ratios (t pz /t im ) and (t pz /t ch ) determine the final deposition morphology in the presence of magnetic field. Finally, the ability to control particle deposition and assembly, thus tuning the magnetic anisotropic properties of nanostructured materials is a promising approach for many engineering applications.

42 ENGINEERING↗
DOE OSTI2018

Magnetic properties of single crystalline itinerant ferromagnet AlFe 2 B 2

Here, single crystals of AlFe 2 B 2 have been grown using the self-flux growth method, and then we measured the structural properties, temperature- and field-dependent magnetization, and temperature-dependent electrical resistivity at ambient as well as high pressure. The Curie temperature of AlFe 2 B 2 is determined to be 274 K. The measured saturation magnetization and the effective moment for the paramagnetic Fe ion indicate the itinerant nature of the magnetism with a Rhode-Wohlfarth ratio M C /M sat ≈ 1.14. Temperature-dependent resistivity measurements under hydrostatic pressure show that transition temperature T C is suppressed down to 255 K for p = 2.24 GPa pressure with a suppression rate of ~–8.9 K/GPa. The anisotropy fields and magnetocrystalline anisotropy constants are in reasonable agreement with density functional theory calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of cobalt substitution on structure and magnetic properties of Nd 0.4 Zr 0.6 Fe 10–x Co x Si 2 (x = 0–3) alloys and their ribbons

This paper reports the stabilization of the RFe 12 -type based compounds where part of R and Fe are substituted with Zr and Co and Si, respectively, in order to examine whether these rare-earth-lean materials are suitable for applications as permanent magnets. Structural and magnetic characterization of the family of alloys with the general formula Nd 0.4 Zr 0.6 Fe 10–x Co x Si 2 (x = 0–3) and their melt-spun ribbons were carried out using X-ray diffraction and Mössbauer spectroscopy. The ThMn 12 -type structure is obtained for all samples as the majority phase with a minority α-Fe(CoSi) phase (less than 5 wt%) as it was estimated by XRD for x = 1 and 2. The Curie temperature increases linearly with Co substitution from 561 K for x = 0 to 712 K for x = 3. The saturation magnetization decreases slightly from 130.5 (x = 1) to 129.1 A·m 2 /kg (x = 3), while the anisotropy field is following the same trend.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Using methodical compositional tuning to optimize Co x Tb 1− x structural and magnetic properties

The Co-rich end of the Co–Tb binary phase diagram (Co x Tb 1−x , x = 0.66–0.82) has been investigated to understand the phases which form in the bulk and how they interact to yield magnetic behavior which has been reported to be ideal for use in spintronic devices. Here, this work shows that the phases and phase fractions present across this composition range follow those predicted by the binary phase diagram, and all compounds in this composition range are multiphase. Magnetic measurements show similar behavior in this composition range to related thin film work, and we attribute the observed behavior to the respective binary phases present in each compound. Ideal magnetic behavior of minimized magnetic saturation and maximized coercivity is observed in the range of x= 0.78 − 0.80 related to the majority phase Co 7 Tb 2 in these two compounds. High pressure magnetic measurements show magnetic saturation and coercivity at 300 K change little with respect to external pressure. The extension of the synthesis of these binaries into the bulk allows for specific binary phases to be targeted and analyzed for consideration in future devices.

Crystal structure↗
DOE OSTI2023

Magnetic Properties of Tetravalent Pu in the Perovskites BaPuO 3 and SrPuO 3

BaPuO 3 and SrPuO 3 were synthesized, and their structures were refined in the orthorhombic space group Pbnm , a common distortion from the classic $Pm\bar{3}$m over barm cubic perovskite. Magnetic-susceptibility measurements, obtained as a function of temperature over the range of 1.8-320 K, exhibit temperature-dependent behavior, with evidence of long-range magnetic order at temperatures higher than their lanthanide and actinide analogues: BaPuO 3 below 164(1) K and SrPuO 3 below 76(1) K. Effective moments of 1.66(10)μ B for BaPuO 3 and 1.84(8)μ B for SrPuO 3 were obtained by fitting their paramagnetic susceptibilities using the Curie-Weiss law. Further, both are below the free-ion value of 2.68 μ B expected for a Pu 4+ 5 $\mid$ 4 ground level. Ab initio wave function calculations, performed at the relativistic complete active space level including spin-orbit coupling and with an embedded cluster approach that neglects interactions between Pu centers, were used to generate embedded-cluster Pu 4+ magnetic susceptibilities. The calculations agree well with experimental data at higher temperatures, providing evidence that a single-ion representation is sufficient to account for the observed paramagnetic behavior without the need to invoke charge transfer, disproportionation, strong covalent bonding, or other more complex electronic behavior.

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

Thermodynamic and Magnetic Properties of the Two-Dimensional Anisotropic Ising Model with Competing Interactions

The two-dimensional anisotropic Ising model with competing interactions is studied on a square lattice by Monte Carlo methods using the Wang–Landau algorithm. The temperature dependences of the main thermodynamic and magnetic parameters are calculated. The distinctive features of temperature dependences of these parameters for different values of the competing interaction are shown. The dependences of the wave number of modulated structures on the ratio of exchange interaction parameters are plotted. The phase diagram of the model is built. The coordinates of the Lifshits point and the localization region of the phases with different wave vector values are calculated by interpolating phase boundaries of the d-iagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Metal-organic and supramolecular networks driven by 5-chloronicotinic acid: Hydrothermal self-assembly synthesis, structural diversity, luminescent and magnetic properties

Four new crystalline solids, namely [Co{sub 2}(µ{sub 2}-5-Clnic){sub 2}(µ{sub 3}-5-Clnic){sub 2}(µ{sub 2}-H{sub 2}O)]{sub n} (1), [Co(5-Clnic){sub 2}(H{sub 2}O){sub 4}]·2(5-ClnicH) (2), [Pb(µ{sub 2}-5-Clnic){sub 2}(phen)]{sub n} (3), and [Cd(5-Clnic){sub 2}(phen){sub 2}]·3H{sub 2}O (4) were generated by hydrothermal self-assembly methods from the corresponding metal(II) chlorides, 5-chloronicotinic acid (5-ClnicH) as a principal building block, and 1,10-phenanthroline (phen) as an ancillary ligand (optional). All the products 1–4 were characterized by IR spectroscopy, elemental analysis, thermogravimetric (TGA), powder X-ray diffraction (PXRD) and single-crystal X-ray diffraction. Their structures range from an intricate 3D metal-organic network 1 with the 3,6T7 topology to a ladder-like 1D coordination polymer 3 with the 2C1 topology, whereas compounds 2 and 4 are the discrete 0D monomers. The structures of 2 and 4 are further extended (0D→2D or 0D→3D) by hydrogen bonds, generating supramolecular networks with the 3,8L18 and ins topologies, respectively. Synthetic aspects, structural features, thermal stability, magnetic (for 1) and luminescent (for 3 and 4) properties were also investigated and discussed. - Graphical abstract: A new series of crystalline solids was self-assembled and fully characterized; their structural, topological, luminescent and magnetic features were investigated. Display Omitted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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 OSTI2026

Compositional Tuning of Magnetic Properties in a Series of Transition Metal Site-Deficient UCo x Bi 2 and UNi x Bi 2 Phases

Varying the electronic structure of topological materials through aliovalent substitution is a primary approach to tuning their physical properties. Unlike substitution, metal site deficiency intrinsic to some structure types, including HfCuSi 2 -type, has rarely been employed for controlling the properties of topological phases. In this report, we describe the synthesis and characterization of two new series of compounds, UCoxBi 2 and UNixBi 2 , which demonstrate the variation of transition metal content through synthetic conditions. Magnetic measurements reveal the dependence between the extent of transition metal incorporation and the magnetism of the resulting phase. DFT calculations demonstrated the ability to model their formation and predict the stability ranges of transition metal-site deficient compounds.

Crystal structure↗
DOE OSTI2019

Magnetic Properties and Photocatalytic Activity of the TiO{sub 2} Micropowders and Nanopowders Coated by Ni Nanoclusters

In this work, TiO{sub 2} micropowders and nanopowders coated by Ni nanoclusters have been prepared by original electroless deposition method. The presence of Ni nanoclusters at the surface of TiO{sub 2} grains was confirmed by measuring the temperature dependence of magnetization. Optical spectroscopy measurements showed significant increase of light absorption in Ni-coated TiO{sub 2} nanopowders. Photocatalytic properties of TiO{sub 2}/Ni powder were studied with electron paramagnetic resonance spectroscopy as well. It was found that deposition of Ni nanoclusters on a mixture of anatase (76%) and rutile (14%) nanopowder provides best results and the optimal Ni deposition time was determined.

77 NANOSCIENCE AND NANOTECHNOLOGY↗