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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Evaluating the effects of structural disorder on the magnetic properties of Nd 2 Zr 2 O 7

Motivated by the variation in reported lattice parameters of floating-zone-grown Nd 2 Zr 2 O 7 crystals, we have performed a detailed study of the relationship between synthesis environment, structural disorder, and magnetic properties. Using a combination of polycrystalline standards, electron-probe microanalysis, and scattering techniques, we show that crystals grown under atmospheric conditions have a reduced lattice parameter relative to pristine polycrystalline powders due to occupation of the Nd site by excess Zr (i.e., negative stuffing). In contrast, crystals grown under high-pressure Ar are nearly stoichiometric with an average lattice parameter approaching the polycrystalline value. While minimal disorder of the oxygen sublattices is observed on the scale of the average structure, neutron pair-distribution function analysis indicates a highly local disorder of the oxygen coordination, which is only weakly dependent on growth environment. Most importantly, our magnetization, heat capacity, and single-crystal neutron scattering data show that the magnetic properties of crystals grown under high-pressure Ar match closely with those of stoichiometric powders. Neutron scattering measurements reveal that the signature of magnetic moment fragmentation—the coexistence of all-in-all-out (AIAO) magnetic Bragg peaks and diffuse pinch-point scattering due to spin-ice correlations–persists in these nearly stoichiometric crystals. However, in addition to an increased AIAO transition temperature, the diffuse signal is seemingly stabilized and remains nearly unchanged upon warming to 800 mK. This behavior indicates that both the AIAO magnetic order and spin-ice correlations are sensitive to deviations of the Nd stoichiometry.

36 MATERIALS SCIENCE↗
DOE OSTI2015

The structural and magnetic properties of Pr{sub 1−x}Er{sub x}Al{sub 2}

We report on the effect of Er addition to PrAl{sub 2} on the lattice parameters, magnetic behavior, heat capacity, and magnetocaloric effect by using x-ray diffraction, magnetization, and heat capacity measurements. Unlike Pr{sub 0.6}Er{sub 0.4}Al{sub 2}, other alloys we studied in the pseudobinary (Pr{sub 1−x}Er{sub x})Al{sub 2} system do not exhibit a sharp peak in heat capacity with the application of magnetic field. Both the cubic lattice parameter and the Curie temperature decrease with increasing Er concentration. The nuclear specific heat coefficient decreases from 660 mJ K mol{sup −1} for x = 0.05 to a nearly negligible value for x = 0.95. The magnetic entropy and adiabatic temperature change varies from 2 to 4 J mol{sup −1} K{sup −1} and 2.5 to 5 K at ΔH = 20 kOe for x = 0.05 to 0.95, respectively. These values of the magnetocaloric effect are comparable to those of the other rare-earth dialuminides systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Cubic phase stability, optical and magnetic properties of Cu-stabilized zirconia nanocrystals

By means of experimental and ab initio investigations, in this article we report on the cubic phase stability of Cu doped zirconia (ZrO 2 ) at room temperature, and further characterize its structural, optical and magnetic properties. Various compositions of Zr 1– x Cu x O 2 (0.01 ≤ x ≤ 0.25) nanocrystallites of average size ~16 nm were synthesized using co-precipitation technique. Thermal analysis and kinetics of crystallization revealed that the cubic phase at ambient temperature can be stabilized by using a critical calcination temperature of 500 °C for 8 h in air and a critical composition of $x_c$ = 0.10 ± 0.05. For $x < x_c$, some undigested monoclinic phase of ZrO 2 exists together with the cubic structure. However, for $x > x_c$, the monoclinic CuO emerges as a secondary phase with shrinkage of unit-cell volume with increasing the Cu content. At x = 0.05 and 500 °C calcination temperature, we observe a high degree of cubic crystallinity which breaks down into monoclinic phase with increasing calcination temperature beyond 550 °C. Electron magnetic resonance studies provide evidence for the substitution of Cu 2+ ( 2 D 5/9 ,3d 9 ) ions at Zr 4+ sites with g ∥ = 2.250, g ⊥ = 2.018 and average g a = (g ∥ + 2g ⊥ )/3 ~ 2.1. The temperature dependence of magnetic susceptibility measurements from 2 K to 300 K exhibits Curie–Weiss behaviour whose analysis using g a = 2.1 and spin S = 1/2 yields x = 0.028 and x = 0.068 for the nominal x = 0.05 and x = 0.20 samples, respectively. This magnetic analysis confirms the findings from x-ray diffraction that only a part of Cu is successfully doped into cubic phase of Cu-doped ZrO 2 . The optical bandgap decreases with increasing x, which is due to the emergence of Cu-d states at Fermi-level near the valence bands, thus making Cu-doped zirconia a hole doped (p-type) semiconductor.

electron spin resonance↗
DOE OSTI2015

Microstructure and magnetic properties of (001) textured L1(0) FePt films on amorphous glass substrate

L1(0) FePt thin films with an island-like morphology and magnetic perpendicular anisotropy were grown at low temperature (300 < T-dep< 375 degrees C) by magnetron sputtering on Hoya glass substrates using a 30-nm thick Cr (2 0 0) underlayer. An MgO buffer layer with a thickness of 2 nm was used to inhibit the diffusion from the Cr underlayer and promote the growth of (0 0 1) oriented L1(0) FePt films by inducing an in-plane lattice distortion. By varying the substrate temperature and the Ar sputter pressure (3.5 < P-Ar< 15 mTorr) during the deposition, the degree of chemical order, the microstructure and the magnetic properties were tuned and the best properties in term of squareness ratio (M-r/M-s similar to 0.95) and coercive field (H-c similar to 14 kOe) were observed for films deposited at T-dep = 350 degrees C and P-Ar= 5 mTorr, due to the appearance of a tensile strain, which favors the perpendicular anisotropy. The analysis of the angular dependence of remanent magnetization curves on the optimized sample suggests that the magnetization reversal is highly incoherent due to the inter-island interactions. Our results provide useful information on the low temperature growth of FePt films with perpendicular anisotropy onto glass substrates, which are relevant for a variety of technological applications, such as magnetic recording and spintronic devices. (C) 2015 Elsevier B.V. All rights reserved.

Speliotis, T↗
DOE OSTI2016

The effects of post-growth annealing on the structural and magnetic properties of BaFe 2 As 2

Here, we investigate the effects of post-growth annealing on the structural and magnetic properties of BaFe 2 As 2 . Magnetic susceptibility measurements, which exhibit a signal corresponding to the magnetic phase transition, and high-resolution x-ray diffraction measurements, which directly probe the structural order parameter, show that annealing causes the ordering temperatures of both the phase transitions to increase, sharpen and converge. In the as grown sample, our measurements show two distinct transitions corresponding to structural and magnetic ordering, which are separated in temperature by approximately 1 K. After 46 days (d) of annealing at 700 °C, the two become concurrent in temperature. These measurements demonstrate that the structural phase transition is second-order like when the magnetic and structural phase transitions are separated in temperature, and first-order like when the two phase transition temperatures coincide. This observation indicates that annealing causes the system to cross a hitherto undiscovered tricritical point. In addition, x-ray diffraction measurements show that the c-axis lattice parameter increases with annealing up to 30 d, but remains constant for longer annealing times. Comparisons of BaFe 2 As 2 to SrFe 2 As 2 are made when possible.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Exquisite growth control and magnetic properties of yttrium iron garnet thin films

A layer-by-layer epitaxial growth up to 227 atomic layers of ferrimagnetic insulator yttrium iron garnet (YIG) thin films is achieved on (110)-oriented gadolinium gallium garnet substrates using pulsed laser deposition. Atomically smooth terraces are observed on YIG films up to 100 nm in thickness. The root-mean-square roughness is as low as 0.067 nm. The easy-axis lies in the film plane, indicating the dominance of shape anisotropy. For (110)-YIG films, there is well-defined two-fold in-plane anisotropy, with the easiest axis directed along [001]. The Gilbert damping constant is determined to be 1.0 × 10{sup −4} for 100 nm thick films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Controlled synthesis of Eu{sup 2+} and Eu{sup 3+} doped ZnS quantum dots and their photovoltaic and magnetic properties

Eu-doped ZnS quantum dots (QDs) have been synthesized by wet-chemical method and found to form in zinc blende (cubic) structure. Both Eu{sup 2+} and Eu{sup 3+} doped ZnS can be controllably synthesized. The Eu{sup 2+} doped ZnS QDs show broad photoluminescence emission peak around 512 nm, which is from the Eu{sup 2+} intra-ion transition of 4f{sup 6}d{sup 1} – 4f{sup 7}, while the Eu{sup 3+} doped samples exhibit narrow emission lines characteristic of transitions between the 4f levels. The investigation of the magnetic properties shows that the Eu{sup 3+} doped samples exhibit signs of ferromagnetism, on the other hand, Eu{sup 2+} doped samples are paramagnetic of Curie-Weiss type. The incident photon to electron conversion efficiency is increased with the Eu doping, which suggests the QD solar cell efficiency can be enhanced by Eu doping due to widened absorption windows. This is an attractive approach to utilize benign and environmentally friendly wide band gap ZnS QDs in solar cell technology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Magnetic Properties and Nature of Magnetic State of Intercalated Cr{sub x}MoSe{sub 2} Compounds

This is a pioneering work on the synthesis of molybdenum diselenides intercalated by chromium atoms. Their magnetic properties are studied at various intercalant concentrations, temperatures, and magnetic fields. The temperature dependences of effective magnetic moments and positive paramagnetic Curie temperatures in the paramagnetic region evidence the feasible ferromagnetic interactions between intercalated atoms. The existence of low-temperature ferromagnetic state in Cr{sub x}МоSe{sub 2} is confirmed by hysteresis phenomena in temperature and field dependences of magnetization and magnetic susceptibility.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Ab initio GGA+U investigations of the structural, electronic, and magnetic properties of Cd 1-x Mn x Te alloy

The structural, electronic and magnetic properties of Cd 1-x Mn x Te alloy in the zinc-blende (ZB) phase within the framework of spin-polarized density functional theory using the generalized gradient approximation (GGA) are studied. In particular, we employ GGA+U SIC method that gives a better description of systems with strong Coulomb correlations of the d-electrons. First, we discuss implementation of GGA+U method to the ground state calculations of pure CdTe and ferromagnetic MnTe. The alloy is modelled at some selected compositions by ordered structures described in terms of periodically repeated supercells for the compositions x = 0.25, 0.5, and 0.75. The compositional dependence of the lattice constant, electronic band structure and partial densities of states of ferromagnetic Cd 1-x Mn x Te alloy are studied. We estimate the spin-exchange splitting energies produced by the Mn 3d-states and determine the exchange constants for the conduction and valence bands of the alloy. The energy positions of the occupied and unoccupied Mn 3d-bands in the electronic structure of ferromagnetic Cd 1-x Mn x Te alloy are also presented. Our calculations using GGA+U SIC approach agree well with the available experimental data and other calculations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Synthesis, crystal structure, and magnetic properties of quaternary iron selenides: Ba{sub 2}FePnSe{sub 5} (Pn=Sb, Bi)

Two new barium iron pnictide–selenides, Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5}, were synthesized by a high-temperature solid-state route and their crystal structures were determined using single crystal X-ray diffraction. Both compounds are isomorphic to the high pressure phase Ba{sub 3}FeS{sub 5} and crystallize in the orthorhombic space group Pnma (No. 62) with cell parameters of a=12.603(2)/12.619(2) Å, b=9.106(1)/9.183(1) Å, c=9.145(1)/9.123(1) Å and Z=4 for Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5}, respectively. According to differential scanning calorimetry, Ba{sub 2}FePnSe{sub 5} compounds exhibit high thermal stability and melt congruently at 1055(5) K (Pn=Sb) and 1105(5) K (Pn=Bi). Magnetic characterizations reveal strong antiferromagnetic nearest-neighbor interactions in both compounds resulting in an antiferromagnetic ordering at 58(1) K for Ba{sub 2}FeSbSe{sub 5} and 79(2) K for Ba{sub 2}FeBiSe{sub 5}. The magnetic interactions between Fe{sup 3+} centers, which are at least 6 Å apart from each other, are mediated by superexchange interactions. - Graphical abstract: In Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5} the magnetic interactions between Fe{sup 3+} centers, which are at least 6 Å apart from each other, are mediated by superexchange interactions. - Highlights: • New compounds Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5} have been synthesized. • The crystal structure was determined by single crystal X-ray diffraction. • Both compounds melt congruently at temperatures above 1000 K. • Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5} exhibit AFM ordering at 58 K (Sb) and 70 K (Bi). • Magnetic exchange between Fe{sup 3+} is mediated by either Se–Sb(Bi)–Se or Se–Ba–Se bridges.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗