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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Synthesis, characterization, and theoretical analysis of a plutonyl phosphine oxide complex

The interplay of bond strength and covalency are examined in AnO 2 Cl 2 (OPcy 3 ) 2 (An = Pu, U) complexes. The synthesis of trans-PuO 2 Cl 2 (OPcy 3 ) 2 , 1-Pu, has been carried out and confirmed by single crystal X-ray diffraction along with UV-vis-NIR, and 31 P NMR spectroscopies. Theoretical analysis finds that despite a higher calculated covalency for the Pu–Cl interaction, the Pu–OPcy 3 interaction is stronger due to the accumulation of electron density in the interatomic region. As a result, the coordination of equatorial ligands slightly decreases the strength of the Pu≡O yl interactions relative to the free gas phase (PuO 2 ) 2+ ion.

Windorff, Cory J.↗
DOE OSTI2016

Nd{sub 2±x}Zr{sub 2∓x}O{sub 7±x/2} (−0.2≤x≤0.4) complex oxides: Effect of anion disorder on ionic conductivity

In the present work, a series of Nd{sub 2±x}Zr{sub 2∓x}O{sub 7±x/2} (−0.2≤x≤0.4) was prepared by self assisted gel-combution method followed by high temperature sintering at 1673 K. Thorough structural characterizations were done by X-ray diffraction and Raman spectroscopic techniques. The nominal compositions Nd{sub 1.6}Zr{sub 2.4}O{sub 7.2} and Nd{sub 1.8}Zr{sub 2.2}O{sub 7.1} were found to possess single-phasic pyrochlore structure whereas Nd{sub 2.0}Zr{sub 2.0}O{sub 7} and Nd{sub 2.2}Zr{sub 1.8}O{sub 6.9} consisted of a pyrochlore phase and a small amount of hexagonal Nd{sub 2}O{sub 3} as an impurity phase. Electrical behavior of the samples was examined by AC impedance analysis. Even though the activation energies of all the samples are not very different, a high pre-exponential factor for the Nd{sub 1.6}Zr{sub 2.4}O{sub 7.2} composition resulted in high ionic conductivity (3.37 × 10{sup −3} Scm{sup −1} at 773 K). This high ionic conductivity value makes it a superior candidate as an electrolyte material for SOFC applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Tuning carrier density at complex oxide interface with metallic overlayer

We have systematically investigated the electronic transport properties of the LaAlO{sub 3}/SrTiO{sub 3} interfaces with several different metal capping layers. The sheet carrier density can be tuned in a wide range by the metallic overlayer without changing the carrier mobility. The sheet carrier density variation is found to be linearly dependent on the size of metal work function. This behavior is explained by the mechanism of the charge transfer between the oxide interface and the metal overlayer across the LaAlO{sub 3} layer. Our results confirm the existence of a built-in electric field in LaAlO{sub 3} film with an estimated value of 67.7 eV/Å. Since the metallic overlayer is essential for devices, the present phenomena must be considered for future applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Overlapping growth windows to build complex oxide superlattices

Perovskite oxide superlattices are of particular interest due to novel phenomena emerging at interfaces which are beyond the bulk properties of the constituent layers. However, building perovskite superlattices comprised of stoichiometric layers with sharp interfaces has proven challenging. Here, the synthesis of a series of high quality (SrTiO3) n /(CaTiO 3 ) n superlattice structures grown on LSAT substrates is demonstrated by employing hybrid molecular beam epitaxy, where Ti was supplied using metal-organic titanium tetraisopropoxide (TTIP), and Sr and Ca were supplied using conventional effusion cells. By careful adjustment of the cation fluxes of Sr and Ca with respect to the TTIP flux, the growth windows of SrTiO 3 and CaTiO 3 were overlapped, allowing us to grow the individual superlattice layers with self-regulated stoichiometry. Stable and repeatable reflection high-energy electron diffraction oscillations during the entire ~2.5 h growth period indicated good source flux stability. The structural quality of the superlattice films were determined by scanning transmission electron microscopy and synchrotron-based X-ray diffraction, revealing periodic, phase pure, homogenous superlattice structures with abrupt interfaces. Application of perovskite stoichiometric growth windows offers great potential for accessing and realizing interface driven phenomena in versatile perovskite superlattice materials with chemistries beyond titanates.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Shape-imposed anisotropy in antiferromagnetic complex oxide nanostructures

In this study, we report on a shape-imposed magnetic anisotropy in micro- and nanostructures defined in antiferromagnetic (AF) LaFeO3 (LFO) thin films. Two distinct types of structures are investigated: embedded magnets created via ion implantation and free-standing magnets created via ion milling. Using a combination of x-ray photoemission electron microscopy and x-ray absorption spectroscopy, we examine the impact of the structure type, AF layer thickness, and crystal geometry on the Néel vector orientation in these structures. Here, we demonstrate a distinct shape-imposed anisotropy in embedded and free-standing structures alike and show that both parallel and perpendicular alignments of the AF spin axis with respect to structure edges can be achieved by variation of the AF layer thickness and the orientation of the structure edges with respect to the LFO crystalline axes. This work demonstrates how the fabrication procedure affects the magnetic order in thin film AF nanostructures and shows how nanoscale patterning can be used to control the orientation of the Néel vector in epitaxial oxide thin films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Non-thermal fluence threshold for femtosecond pulsed x-ray radiation damage in perovskite complex oxide epitaxial heterostructures

Intense hard x-ray pulses from a free-electron laser induce irreversible structural damage in a perovskite oxide epitaxial heterostructure when pulse fluences exceed a threshold value. The intensity of x-ray diffraction from a 25-nm thick epitaxial BiFeO 3 layer on a SrTiO 3 (STO) substrate measured using a series of pulses decreases abruptly with a per-pulse fluence of 2.7 x 10(6) photons mu m -2 at a photon energy of 9.7 keV but remains constant for 1.3 x 10 6 photons mu m -2 or less. The damage resulted in the destruction of the BiFeO 3 thin film within the focal spot area and the formation of a deep cavity penetrating into the STO substrate via the removal of tens of nanometers of material per pulse. The damage threshold occurs at a fluence that is insufficient to heat the absorption volume to the melting point. The morphology of the ablated sample is consistent with fracture rather than melting. Together, these results indicate that the damage occurs via a nonthermal process consistent with ultrafast ionization of the absorption volume.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Interface-induced multiferroism by design in complex oxide superlattices

Interfaces between materials present unique opportunities for the discovery of intriguing quantum phenomena. Here, we explore the possibility that, in the case of superlattices, if one of the layers is made ultrathin, unexpected properties can be induced between the two bracketing interfaces. We pursue this objective by combining advanced growth and characterization techniques with theoretical calculations. Using prototype La 2/3 Sr 1/3 MnO 3 (LSMO)/BaTiO 3 (BTO) superlattices, we observe a structural evolution in the LSMO layers as a function of thickness. Atomic-resolution EM and spectroscopy reveal an unusual polar structure phase in ultrathin LSMO at a critical thickness caused by interfacing with the adjacent BTO layers, which is confirmed by first principles calculations. Most important is the fact that this polar phase is accompanied by reemergent ferromagnetism, making this system a potential candidate for ultrathin ferroelectrics with ferromagnetic ordering. Monte Carlo simulations illustrate the important role of spin–lattice coupling in LSMO. These results open up a conceptually intriguing recipe for developing functional ultrathin materials via interface-induced spin–lattice coupling.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Local rare-earth dopant structure in a complex-oxide/semiconductor heterojunction: Molecular beam epitaxy grown Yb-doped SrTiO3 on Si(001)

We have investigated the structural and electronic properties of Yb-doped SrTiO3/Si(001) grown by molecular beam epitaxy. Other rare-earth donor dopants that result in n-type conductivity typically substitute for Sr at the A-sites in the perovskite lattice. In contrast, Yb has been found to substitute predominantly for Ti at the perovskite B-sites based on data from atomically resolved scanning transmission electron microscopy and spectroscopy, as well as extended x-ray absorption fine structure. Yb exhibits two distinct charge states as determined by x-ray absorption spectroscopy and associated modeling, +2.7 and +2.1. These aliovalent substitutional dopants are compensated by donor electrons from oxygen vacancies that form during epitaxial film growth. An atom beam flux mismatch was present during film depositions because it was assumed that Yb would occupy A-sites, leading to a flux matching formula given by Yb + Sr = Ti. However, the formation of YbTi rather than YbSr results in Sr vacancies and extraneous (i.e. non-lattice) Ti atoms in the films, or on the film surfaces. The presence of these defects, together with oxygen vacancies, leads to deep-level electron traps that were detected by resonant photoemission and much higher sheet resistance than that associated with, for instance, La-doped films.

Chambers, Scott A. (ORCID:000000025415043X)↗
DOE OSTI2012

Spectroscopic Characterization of a Multiband Complex Oxide: Insulating and Conducting Cement 12CaO·7Al₂O₃

Natural 12CaO·7Al₂O₃ (C12A7) is a wide band gap insulator, but conductivity can be realized by introducing oxygen deficiency. Currently, there are two competing models explaining conductivity in oxygen-deficient C12A7, one involving the electron transfer via a “cage conduction band” inside the nominal band gap, the other involving electron hopping along framework lattice sites. To help resolve this debate, we probe insulating and conducting C12A7 with x-ray emission, x-ray absorption, and x-ray photoemission spectroscopy, which provide a full picture of both the valence and conduction band edges in these materials. Thesemeasurements suggest the existence of a narrow conduction band between themain conduction and valence bands common in both conducting and insulating C12A7 and support the theory that free electrons in oxygen-deficient C12A7 occupy the low-energy states of this narrow band. Our measurements are corroborated with density functional theory calculations.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2013

Spin-flop coupling and exchange bias in embedded complex oxide micromagnets

The magnetic domains of embedded micromagnets defined in epitaxial La0.7Sr0.3MnO3 (LSMO) thin films and LaFeO3/LSMO bilayers were investigated using soft x-ray magnetic microscopy. Square micromagnets with 2 x 2 m dimensions aligned with their edges parallel to the easy axes of LSMO provide an ideal experimental geometry for probing the influence of interface exchange coupling on the magnetic domain patterns. The observation of unique domain patterns not found in ferromagnetic metal microstructures, namely divergent antiferromagnetic vortex domains and Z -type domains, suggests the simultaneous presence of spin-flop coupling and local exchange bias in this system.

Takamura, Yayoi↗
DOE OSTI2021

Real Space Imaging of Spin Stripe Domain Fluctuations in a Complex Oxide

Understanding the formation and dynamics of charge and spin-ordered states in low-dimensional transition metal oxide materials is crucial to understanding unconventional high-temperature superconductivity. La 2-x Sr x NiO 4+δ (LSNO) has attracted much attention due to its interesting spin dynamics. Recent x-ray photon correlation spectroscopy studies have revealed slow dynamics of the spin order (SO) stripes in LSNO. Here, we applied resonant soft x-ray ptychography to map the spatial distribution of the SO stripe domain inhomogeneity in real space. The reconstructed images show the SO domains are spatially anisotropic, in agreement with previous diffraction studies. For the SO stripe domains, it is found that the correlation lengths along different directions are strongly coupled in space. Surprisingly, fluctuations were observed in the real space amplitude signal, rather than the phase or position. Overall, we attribute the observed slow dynamics of the stripe domains in LSNO to thermal fluctuations of the SO domain boundaries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Nanostructured complex oxides as a route towards thermal behavior in artificial spin ice systems

Here, we have used soft x-ray photoemission electron microscopy to image the magnetization of single-domain La 0.7 Sr 0.3 MnO 3 nanoislands arranged in geometrically frustrated configurations such as square ice and kagome ice geometries. Upon thermal randomization, ensembles of nanoislands with strong interisland magnetic coupling relax towards low-energy configurations. Statistical analysis shows that the likelihood of ensembles falling into low-energy configurations depends strongly on the annealing temperature. Annealing to just below the Curie temperature of the ferromagnetic film (T C = 338 K) allows for a much greater probability of achieving low-energy configurations as compared to annealing above the Curie temperature. At this thermally active temperature of 325 K, the ensemble of ferromagnetic nanoislands explore their energy landscape over time and eventually transition to lower energy states as compared to the frozen-in configurations obtained upon cooling from above the Curie temperature. Thus, this materials system allows for a facile method to systematically study thermal evolution of artificial spin ice arrays of nanoislands at temperatures modestly above room temperature.

36 MATERIALS SCIENCE↗