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At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Substrate-Dependent Structure, Magnetic, and Ferroelectric Properties of Multiferroic Bi{sub 0.9}Ba{sub 0.1}FeO{sub 3} Thin Film

The structure characteristic of substrate is a key parameter to modify the structure of as-grown thin film and tune physical properties for oxide thin film materials. Three various substrates are selected to identify the change of structure as well as ferroelectric and magnetic properties of the fabricated Bi{sub 0.9}Ba{sub 0.1}FeO{sub 3} thin film. XRD and TEM combined with AFM were used to confirm the detailed structure and epitaxial growth of Bi{sub 0.9}Ba{sub 0.1}FeO{sub 3} thin film on different substrates. Correspondingly, the changes of the ferroelectric and magnetic properties were investigated. It is found that the lattice mismatch between substrate and thin film significantly promotes the structure distortion of Bi{sub 0.9}Ba{sub 0.1}FeO{sub 3} thin film inducing the change of ferroelectric and magnetic properties. Our results further reveal that the structure characteristic of substrate plays a major role in determining the structure of epitaxial thin film and the enhancement of physical properties, which sheds light to understanding the effect of lattice mismatch in many other functional oxide thin films as well.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Crystal growth and evolution of magnetism in the EuCuP-EuCuAs solid solution

The hexagonal EuMX (M = Cu, Ag, Au; X = P, As, Sb, Bi) compounds host interesting electronic and magnetic properties, with seemingly intertwined topology and transport properties. One key feature of such behavior is the nature of the ordered magnetic structure. In EuCuAs, a topological Hall effect is caused by a conical spin structure that emerges when a field is applied within the easy-plane (H ⊥ c) of the helical ground state that exists below the Neel temperature of T N = 14 K. On the other hand, EuCuP is an easy-axis ferromagnet with a Curie temperature T C near 31 K. Here, in this study, we investigate the evolution of the magnetic properties in EuCuAs 1-x P x single crystals with 0.16 ≤ x ≤ 0.75. Crystals grown by cooling slowly in a Sn flux possessed macroscale inhomogeneity of As/P, particularly for arsenic-rich crystals. However, growth in a Sn flux via an isothermal dwell at 600 °C produced crystals that were homogeneous within the resolution of the probes utilized to investigate these crystals. The unit cell volumes, Curie-Weiss temperatures, and magnetic transitions trend linearly with composition and the magnetic anisotropy is reduced in the alloys. The magnetization data of crystals with x = 0.16 and 0.24 indicate an easy-plane antiferromagnetic ground state while ferromagneticlike behavior is observed for crystals with x ≥ 0.41. The temperature-dependent magnetization data possess multiple transitions for compositions near EuCuAs 0.75 P 0.25 , revealing a competition of ground states in this arsenic-rich region of the phase diagram. Neutron diffraction data for EuCuP are also presented as a follow up to previous results that revealed a two-step transition at T C ; the observed data were consistent with ferromagnetic order at T = 5K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Strong Electronic and Magnetic Coupling in M 4 (M = Ni, Cu) Clusters via Direct Orbital Interactions between Low-Coordinate Metal Centers

In this report we present an extensive study of tetranuclear transition-metal cluster compounds M 4 (NP t Bu 3 ) 4 and [M 4 (NP t Bu 3 ) 4 ][B(C 6 F 5 ) 4 ] (M = Ni, Cu; t Bu = tert -butyl), which feature low-coordinate metal centers and direct metal-metal orbital overlap. X-ray diffraction, electrochemical, magnetic, spectroscopic, and computational analysis elucidate the nature of the bonding interactions in these clusters and the impact of these interactions on the electronic and magnetic properties. Direct orbital overlap results in strongly coupled, large-spin ground states in the [Ni 4 (NP t Bu 3 ) 4 ] +/0 clusters and fully delocalized, spin-correlated electrons. Correlated electronic structure calculations confirm the presence of ferromagnetic ground states that arise from direct exchange between magnetic orbitals, and, in the case of the neutral cluster, itinerant electron magnetism similar to that in metallic ferromagnets. The cationic nickel cluster also possesses large magnetic anisotropy exemplified by a large, positive axial zero-field splitting parameter of D = +7.95 or +9.2 cm -1 , as determined by magnetometry or electron paramagnetic resonance spectroscopy, respectively. The [Ni 4 (NP t Bu 3 ) 4 ] + cluster is also the first molecule with easy-plane magnetic anisotropy to exhibit zero-field slow magnetic relaxation, and under a small applied field, it exhibits relaxation exclusively through an Orbach mechanism with a spin relaxation barrier of 16 cm -1 . The S = 1 / 2 complex [Cu 4 (NP t Bu 3 ) 4 ] + exhibits slow magnetic relaxation via a Raman process on the millisecond time scale, supporting the presence of slow relaxation via an Orbach process in the nickel analogue. Overall, this work highlights the unique electronic and magnetic properties that can be realized in metal clusters featuring direct metal-metal orbital interactions between low-coordinate metal centers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

High-pressure/high-temperature synthesis and characterization of the first palladium or platinum containing lithium transition-metal sulfides Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt)

The new lithium transition-metal sulfides Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) were obtained via multianvil high-pressure/high-temperature syntheses at 8 GPa and 1150 °C starting from a stoichiometric mixture of lithium nitride, sulfur, and palladium or platinum. Single crystal structure analyses indicated the space group P2{sub 1}/c (no. 14) with the following lattice parameters and refinement results: a=492.9(1), b=1005.9(2), c=614.9(2) pm, β=110.9 (1)°, R1=0.0165, wR2=0.0308 (all data) for Li{sub 2}Pd{sub 3}S{sub 4} and a=498.2(1), b=1005.5(2), c=613.0(2) pm, β=110.8(1)°, R1=0.0215, wR2=0.0450 (all data) for Li{sub 2}Pt{sub 3}S{sub 4}. The crystal structures are built up from two distinct Pd/Pt sites, one of which is a special position (0,0,0), two sulfur sites, and one lithium site. The atoms Pd2/Pt2 form isolated square planar PdS{sub 4}/PtS{sub 4} units, whereas the Pd1/Pt1 atoms form pairs of square planar PdS{sub 4}/PtS{sub 4} units, which are connected via a common edge. These two structural motives built up a three-dimensional network structure by linking through common corners. The lithium atoms are positioned inside of the so formed channels. Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) are isostructural to the minerals jaguéite, Cu{sub 2}Pd{sub 3}Se{sub 4} and chrisstanleyite, Ag{sub 2}Pd{sub 3}Se{sub 4}, which are up to now the only representatives of this structure type. Both compounds were studied with respect to their magnetic properties and can be classified as Pauli paramagnetic or diamagnetic. Regarding the possibility of lithium mobility inside the channels, of the structure, solid state {sup 7}Li NMR and high-temperature single crystal investigations revealed localization of the lithium atoms on their crystallographic sites. - Graphical abstract: The ternary lithium transition-metal sulfides Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) were prepared via multianvil high-pressure/high-temperature syntheses. They are built up from square planar PtS{sub 4}/PdS{sub 4} units with lithium located in the channels of the crystal structure. - Highlights: • Li{sub 2}M{sub 3}S{sub 4} (M=Pd, Pt) are the missing sulfide analogue compounds to Cu{sub 2}Pd{sub 3}Se{sub 4} and Ag{sub 2}Pd{sub 3}Se{sub 4}. • The compounds are the first Pd or Pt containing lithium transition-metal sulfides. • Li mobility was investigated via temp. dependent XRD and solid state {sup 7}Li NMR. • Magnetic properties revealed Pauli paramagnetic or diamagnetic contributions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Magnetism Studies of Bis(acyl)phosphide-Supported Eu 3+ and Eu 2+ Complexes

A series of bis(acyl)phosphide-supported Eu complexes were synthesized (bis(acyl)phosphide = BAP). Here, in this study, BAP ligands proved to be excellent ligands for the synthesis of both Eu 3+ and Eu 2+ molecular complexes. Sodium bis(mesitoyl)phosphide (Na( mes BAP)) and sodium bis(2,4,6-triisopropylbenzoyl)phosphide (Na( tripp BAP)) were employed as ligand precursors for the synthesis of the Eu 3+ complexes Eu(bis(mesitoyl)phosphide) 3 (thf) 2 (Eu( mes BAP) 3 (thf) 2 ) and Eu(bis(2,4,6-triisopropylbenzoyl)phosphide) 3 (Eu( tripp BAP) 3 ), as well as the Eu 2+ complex, Eu(bis(2,4,6-triisopropylbenzoyl)phosphide) 2 (dme) 2 (Eu( tripp BAP) 2 (dme) 2 ) (thf = tetrahydrofuran, dme = 1,2-dimethoxyethane). All complexes were characterized using a combination of UV–vis–NIR–IR and NMR spectroscopies, and single-crystal X-ray diffraction (SC-XRD). The magnetic properties of these three monomeric Eu complexes were investigated by variable-temperature magnetic susceptibility. The magnetic data are typical for these ions, with Eu( tripp BAP) 2 (dme) 2 displaying Curie-type behavior. Both Eu( tripp BAP) 3 and Eu( mes BAP) 3 (thf) 2 possess similar 7 F 0 - 7 F 1 spin–orbit energy gaps and a similar zero-field splitting of the 7 F 1 state.

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

Magnetic Order and Its Interplay with Structure Phase Transition in van der Waals Ferromagnet VI 3

We show that Van der Waals magnet VI 3 demonstrates intriguing magnetic properties that render it great for use in various applications. However, its microscopic magnetic structure has not been determined yet. Here, we report neutron diffraction and susceptibility measurements in VI 3 that revealed a ferromagnetic order with the moment direction tilted from the c-axis by ~36° at 4 K. A spin reorientation accompanied by a structure distortion within the honeycomb plane is observed, before the magnetic order completely disappears at $T_C$ = 50 K. The refined magnetic moment of ~1.3$μ_B$ at 4 K is much lower than the fully ordered spin moment of 2$μ_B$/V 3+ , suggesting the presence of a considerable orbital moment antiparallel to the spin moment and strong spin–orbit coupling in VI 3 . This results in strong magnetoelastic interactions that make the magnetic properties of VI 3 easily tunable via strain and pressure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Role of polar compensation in interfacial ferromagnetism of LaNiO 3 /CaMnO 3 superlattices

Polar compensation can play an important role in the determination of interfacial electronic and magnetic properties in oxide heterostructures. Using x-ray absorption spectroscopy, x-ray magnetic circular dichroism, bulk magnetometry, and transport measurements, we find that interfacial charge redistribution via polar compensation is essential for explaining the evolution of interfacial ferromagnetism in LaNiO 3 /CaMnO 3 superlattices as a function of LaNiO 3 layer thickness. In insulating superlattices (four unit cells or less of LaNiO 3 ), magnetism is dominated by Ni-Mn superexchange, while itinerant electron-based Mn-Mn double exchange plays a role in thicker metallic superlattices. X-ray magnetic circular dichroism and resonant x-ray scattering show that Ni-Mn superexchange contributes to the magnetization even in metallic superlattices. This Ni-Mn superexchange interaction can be explained in terms of polar compensation at the LaNiO 3 -CaMnO 3 interface. Finally, these results highlight the different mechanisms responsible for interfacial ferromagnetism and the importance of understanding compensation due to polar mismatch at oxide-based interfaces when engineering magnetic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Ab Initio Calculations of New Full Heusler Alloys Rh{sub 2}ZrX (X = Al, Ga, In, Si, Ge, Sn)

In recent years, Heusler alloys have attracted extensive attention because of their usefulness in spintronic devices. In this paper, the structural, electronic, and magnetic properties of full Heusler alloys Rh{sub 2}ZrX (X = Al, Ga, In, Si, Ge, Sn) have been studied using Quantum Espresso software package based on density functional theory. Calculations have been done by GGA and GGA+U methods. The investigations on the structural properties of the alloys showed that the Rh{sub 2}ZrSi alloy had the most stable structure (E{sub coh} = − 1.807 eV) among the six compounds reviewed. The results of GGA calculation on electronic properties of Rh{sub 2}ZrX alloys show that while the Rh{sub 2}ZrX (X = Al, Ga, In) alloys had metallic nature due to overlapping between conduction and valance band at Fermi level for both spin directions, the Rh{sub 2}ZrX (X = Si, Ge, Sn) alloys had half-metal characteristic. Also, Rh{sub 2}ZrSi and Rh{sub 2}ZrGe alloys had 100% spin polarization. By studying the magnetic properties, it was found that the Rh{sub 2}ZrAl and Rh{sub 2}ZrSi alloys were antiferromagnetic, while the Rh{sub 2}ZrGa, Rh{sub 2}ZrIn, Rh{sub 2}ZrGe, and Rh{sub 2}ZrSn alloys were ferromagnetic materials. Also, the total spin magnetic moment of alloys was found in accordance with the Slater-Pauling rule. The results obtained using GGA+U calculation are slightly different from the results of GGA calculation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Driving rapid atomic order in MnAl via low-magnitude magnetic field annealing

Application of a mild (60 mT), uniform magnetic field during short-term thermal treatment of kinetically retained, atomically disordered (paramagnetic) ε-MnAl was found to deliver a significant ~50 % increase in the formation of L1 0 atomically ordered (ferromagnetic) τ-MnAl product phase, compared to that produced by conventional (i.e., zero-field) annealing under identical thermal conditions. The magnetic field, applied in a passive closed-circuit configuration during annealing, induced significant changes in the structural, magnetic, and phase evolution of the material. Computational results based on electronic structure calculations demonstrate that the effective magnetic susceptibility of τ-MnAl is sensitive to the orientation, rather than the magnitude, of an applied magnetic field in the vicinity of the Curie temperature. The uniaxial magnetocrystalline anisotropy of the L1 0 structure is proposed to act as a filter for selective propagation of the population of τ-MnAl variants that are favorably aligned with the applied field. In this manner, crystallographic “gridlock” is alleviated that would otherwise arise from the coexistence of multiple, energetically equivalent τ-phase variants within the parent ε-phase matrix. These results confirm that static, low-magnitude magnetic field annealing is able to accelerate L1 0 atomic ordering in the MnAl system and likely can exert similar influences in relevant magnetic systems, facilitating efficient tailoring of structure-sensitive magnetic properties for the manufacture of magnetic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Tuning magnetocrystalline anisotropy by cobalt alloying in hexagonal Fe 3 Ge 1

Here, we show using both experimental and theoretical methods that cobalt substitution in the hexagonal ferromagnet Fe 3 Ge suppresses the planar magnetic anisotropy and favors a uniaxial state. Uniaxial ferromagnetism is observed at room temperature for cobalt concentrations of only a few percent, and 10% substitution fully suppresses the planar magnetic structure at least down to 5 K, with only a small effect on the magnetization and Curie temperature. First principles calculations predict strong uniaxial magnetocrystalline anisotropy and promising permanent magnet properties for higher cobalt concentrations. Finally, although these high Co concentrations were not realized experimentally, this work suggests that the rare-earth-free Fe 3 Ge structure supports intrinsic magnetic properties that may enable promising permanent magnet performance.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Spin Glass Behavior in La{sub 0.7}Ca{sub 0.23}Sr{sub 0.07}MnO{sub 3} Nanofibers Obtained by Electrospinning

This work contributes to the development of new nanostructured mixed valence manganites and to explore and optimize their magnetic properties at 1-D level. Nanofibers of La{sub 0.7}Ca{sub 0.23}Sr{sub 0.07}MnO{sub 3} manganite were fabricated using the electrospinning method and three different heat treatments to determine how the nanostructure affects its thermomagnetic behavior. From scanning electron microscopy, nanofibers morphology was observed and average diameters of 75, 94, and 97 nm were identified after heat treatments of 973, 1073, and 1173 K, respectively. According to X-ray diffraction technique, a single-phase orthorhombic structure was defined for each sample. Average crystallite sizes were determined as 47, 49, and 58 nm. A ferromagnetic to paramagnetic transition with Curie temperatures of 297, 305, and 314 K were identified, respectively. Furthermore, a glassy state was induced by nanofibers agglomeration. The spin glass and irreversible temperatures diminished as the magnetic field was increased and a highly anisotropic state was evidenced for all samples. Thermomagnetic behavior in manganites showed to be significantly influenced by the one-dimensional structure and exposed how the dimensionality proportionated by the fabrication method can be used to adjust magnetic properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

On–Surface Synthesis and Characterization of Acene–Based Nanoribbons Incorporating Four–Membered Rings

A bottom up method for the synthesis of unique tetracene–based nanoribbons, which incorporate cyclobutadiene moieties as linkers between the acene segments, is reported. These structures were achieved through the formal [2+2] cycloaddition reaction of ortho –functionalized tetracene precursor monomers. The formation mechanism and the electronic and magnetic properties of these nanoribbons were comprehensively studied by means of a multitechnique approach. Ultra–high vacuum scanning tunneling microscopy showed the occurrence of metal–coordinated nanostructures at room temperature and their evolution into nanoribbons through formal [2+2] cycloaddition at 475 K. Frequency–shift non–contact atomic force microscopy images clearly proved the presence of bridging cyclobutadiene moieties upon covalent coupling of activated tetracene molecules. Insight into the electronic and vibrational properties of the so–formed ribbons was obtained by scanning tunneling microscopy, Raman spectroscopy, and theoretical calculations. Magnetic properties were addressed from a computational point of view, allowing us to propose promising candidates to magnetic acene–based ribbons incorporating four–membered rings. Here, the reported findings will increase the understanding and availability of new graphene–based nanoribbons with high potential in future spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Half-Metallic Ferrimagnetism in CoFeNbZ (Z = Al, Si, Ge, Sn) Quaternary Heusler Alloys: a DFT Study

First principles calculations based on density functional theory is used to study the structural, electronic, and magnetic properties of novel CoFeNbZ (Z = Al, Si, Ge, Sn) quaternary Heusler alloys with the full-potential linearized augmented plane wave (FP-LAPW) method. The exchange-correlation effects are treated using generalized gradient approximation (GGA) to study the structural properties. With GGA as the exchange-correlation potential, CoFeNbAl and CoFeNbSn are half-metallic with 100% spin polarization, whereas CoFeNbSi and CoFeNbGe are nearly half-metallic with high spin polarization of 90.06 and 98.28% respectively. For CoFeNbAl and CoFeNbSn, the spin-flip gap increases with the use of modified Becke-Johnson potential. Using this approximation, CoFeNbGe is a half-metal with a spin-flip gap of 0.303 eV. The magnetic properties indicate that all the compounds follow the M{sub t} = Z{sub t} - 24 Slater-Pauling rule. The half-metallic behavior is maintained over a relatively wide range of lattice constants against hydrostatic strain. The transport properties of half-metallic CoFeNbZ (Z = Al, Ge, Sn) compounds are reported. Our present work has the potential to trigger the design of quaternary Heusler alloys with applications in spintronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Magnetic and mechanical properties of grain-refined Dy-free Nd-Fe-B sintered magnets

In this work, the effects of grain size on magnetic and mechanical properties of Dy-free Nd-Fe-B sintered magnets were studied. The grain size of the sintered magnets was varied by using different sized Dy-free Nd-Fe-B alloy feedstock powders which were ball milled to different extents. Increasing the ball milling time from 7 to 11 h caused the average particle size of the powders to decrease from 3.6 to 2.1 µm, while the average grain size of the corresponding sintered magnets decreased from 5.0 to 4.0 µm. The intrinsic coercivity Hcj and maximum energy product (BH) max of these magnets increased from 11.6 to 13.7 kOe and 41.6 to 43.6 MGOe, respectively. The finer grain magnets exhibited better thermal stability, as indicated by a smaller temperature coefficient of H cj (-0.71%/°C). With extending ball milling time to 15 h, the magnetic properties of the magnets deteriorate, while the flexural strengths first decrease and then increase. The flexural strength improvement is attributed to the increased Oxygen content in the magnets due to finer grains. The coercivity enhancement by reduction of grain size is a promising approach to develop Dy-free Nd-Fe-B sintered magnets with better thermal stability. It is important to control the Oxygen contents in the magnets to compromise both magnetic and mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2018

High Field Magnetization Investigation and Mean Field Theory in Amorphous Co{sub 75}Er{sub 17}B{sub 8} Ribbons

Amorphous Co{sub 75}Er{sub 17}B{sub 8} ribbons were prepared by the melt spinning technique, and their magnetic properties were studied. Mean field theory was used to describe the temperature dependence of magnetization. High-field magnetization studies performed in magnetic fields up to 15 T have revealed a magnetic behavior typical of a non-collinear magnetic structure of Er and Co sublattices. The simulated magnetization curves show the existence of two critical fields at H{sub cri1} = 9.5 T and H{sub cri2} = 94.2 T, corresponding to collinear ferrimagnet, and collinear field-forced ferromagnetic behaviors. The high value of H{sub cri2} highlights the strong antiferromagnetic interaction between Er and Co sublattices. From the non-collinear regime, the inter-subnetwork molecular field coefficients of the ferrimagnetic alloy were accurately evaluated. In addition, it is shown that the region of canted moments can be satisfactorily described by a phase diagram in the H-T plane.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

The investigation of ferromagnetic resonance linewidth in Ni{sub 80}Fe{sub 20} films with submicron rectangular elements

Patterned magnetic films with nano-scaled dots exhibit some special magnetic properties. In this paper, we investigate the in-plane shape anisotropy and the magnetization dynamic damping in permalloy (Ni{sub 80}Fe{sub 20}) arrays of submicron rectangular elements using ferromagnetic resonance (FMR). The FMR linewidth exhibits a dependence on the element size, and mainly comes from the contribution of the intrinsic damping. Also the contribution of two-magnon scattering plays an important role and is reduced with increasing aspect ratio. The damping coefficient decreases from 0.0129 to 0.0118 with the element length increasing from 300 nm to 1200 nm, and the theoretical calculation suggests that the change of damping results from the longitudinal and transverse interlayer spin current due to the spatially inhomogeneous magnetization dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Structural and magnetic studies of tin doped α-Fe{sub 2}O{sub 3} (α-Sn{sub x}Fe{sub 2-x}O{sub 3}) nanoparticles prepared by microwave assisted synthesis

Hematite (α-Fe{sub 2}O{sub 3}) doped with tetravalent ions have potential applications in various fields such as gas sensors, memories, energy storage devices because of their electrical and magnetic properties. Microwave assisted synthesis was used to prepare Tin doped α-Fe{sub 2}O{sub 3} [α-Sn{sub x}Fe{sub 2-x}O{sub 3}]. The structural and morphological studies were investigated using X-ray diffraction (XRD) and Scanning electron microscopy (SEM). XRD patterns revealed that α-Fe{sub 2}O{sub 3} and α-Sn{sub x}Fe{sub 2-x}O{sub 3} were having rhombohedral structure. The compositional study was done by Energy dispersive X-ray Spectroscopy (EDS). The magnetic properties were studied by Vibrating Sample Magnetometry (VSM). Results shows that the prepared samples were found to be antiferromagnetic in nature and the results are discussed in detail.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Material properties of perovskites in the quasi-ternary system LaFeO{sub 3}–LaCoO{sub 3}–LaNiO{sub 3}

An overview is presented on the variation of electrical conductivity, oxygen permeation, and thermal expansion coefficient as a function of the composition of perovskites in the quasi-ternary system LaFeO{sub 3}–LaCoO{sub 3}–LaNiO{sub 3}. Powders of thirteen nominal perovskite compositions were synthesized under identical conditions by the Pechini method. The powder X-ray diffraction data of two series, namely La(Ni{sub 0.5}Fe{sub 0.5}){sub 1−x}Co{sub x}O{sub 3} and LaNi{sub 0.5-x}Fe{sub x}Co{sub 0.5}O{sub 3}, are presented after the powders had been sintered at 1100 °C for 6 h in air. The measurements revealed a rhombohedral structure for all compositions except LaNi{sub 0.5}Fe{sub 0.5}O{sub 3} for which 60% rhombohedral and 40% orthorhombic phase was found. The maximum DC electrical conductivity value of the perovskites at 800 °C was 1229 S cm{sup −1} for the composition LaCoO{sub 3} and the minimum was 91 S cm{sup −1} for the composition LaCo{sub 0.5}Fe{sub 0.5}O{sub 3}. The oxygen permeation of samples with promising conductivities at 800 °C was one order of magnitude lower than that of La{sub 0.6}Sr{sub 0.4}Co{sub 0.8}Fe{sub 0.2}O{sub 3} (LSCF). The highest value of 0.017 ml cm{sup −2} min{sup −1} at 950 °C was obtained with LaNi{sub 0.5}Co{sub 0.5}O{sub 3}. The coefficients of thermal expansion varied in the range of 13.2×10{sup −6} K{sup −1} and 21.9×10{sup −6} K{sup −1} for LaNi{sub 0.5}Fe{sub 0.5}O{sub 3} and LaCoO{sub 3}, respectively. {sup 57}Fe Mössbauer spectroscopy was used as probe for the oxidation states, local environment and magnetic properties of iron ions as a function of chemical composition. The substitution had a great influence on the chemical properties of the materials. - Graphical abstract: Compositional dependence of isothermal electrical conductivity at 800 °C and thermal expansion coefficient in the series La(Fe{sub 0.5}Ni{sub 0.5}){sub (1−x)}Co{sub x}O{sub 3} and LaNi{sub 0.5−x}Fe{sub x}Co{sub 0.5}O{sub 3}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗