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At least 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

La 0.6 Sr 0.4 CoO 3−δ Films Under Deoxygenation: Magnetic And Electronic Transitions Are Apart from The Structural Phase Transition

Abstract Topotactic phase transitions induced by changes in the oxygen vacancy concentration can largely alter the physical properties of complex oxides, including electronic and magnetic phases, while maintaining the structural integrity of the crystal lattice. An oxygen‐vacancy‐induced topotactic phase transition from perovskite (PV) to brownmillerite (BM) is achieved in epitaxial La 0.6 Sr 0.4 CoO 3−δ (LSCO) thin films. Two novel intermediate states with different oxygen content are identified by X‐ray diffraction, which involves a single‐phase reduced PV state and a mixed state of co‐existing PV and BM. The combination of depth‐sensitive polarized neutron reflectometry (PNR) and Rutherford backscattering (RBS) allows a quantitative determination of magnetization and the mean oxygen content in all states, revealing a continuous transition from La 0.6 Sr 0.4 CoO 2.97 to La 0.6 Sr 0.4 CoO 2.5 . BM formation is observed for an LSCO layer with an oxygen content of 2.67, while the magnetic and electronic transition already occurs for a layer with a higher oxygen content of 2.77 (and above) and in the absence of a BM signature. These results demonstrate that the physics of electronic metal‐to‐insulator transition (MIT), magnetic ferromagnet‐to‐non‐ferromagnet transition (FM‐to‐non‐FM), and structural PV‐to‐BM phase transition should be considered within the framework of separate but interrelated processes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Magnetoresistance anomaly during the electrical triggering of a metal-insulator transition

Phase separation naturally occurs in a variety of magnetic materials and it often has a major impact on both electric and magnetotransport properties. In resistive switching systems, phase separation can be created on demand by inducing local switching, which provides an opportunity to tune the electronic and magnetic state of the device by applying voltage. Here we explore the magnetotransport properties in the ferromagnetic oxide La 0.7 ⁢Sr 0.3 ⁢MnO 3 (LSMO) during the electrical triggering of an intrinsic metal-insulator transition (MIT), which produces volatile resistive switching. This switching occurs in a characteristic spatial pattern, i.e., the formation of a high-resistance barrier perpendicular to the current flow, enabling an electrically actuated ferromagnetic-paramagnetic-ferromagnetic phase separation. At the threshold voltage of the MIT triggering, both anisotropic and colossal magnetoresistances exhibit anomalies including a large increase in magnitude and a sign flip. Computational analysis revealed that these anomalies originate from the coupling between the switching-induced phase separation state and the intrinsic magnetoresistance of LSMO. Furthermore, this work demonstrates that driving the MIT material into an out-of-equilibrium resistive switching state provides the means for electrical control of the magnetotransport phenomena.

Complex oxides↗
DOE OSTI2022

HP-PdF2-type FeCl2 as a potential Cl-carrier in the deep Earth

Here, we report for the first time the formation of a HP-PdF 2 -type FeCl 2 phase (space group Pa$\bar{3}$), through high pressure-temperature (P-T) reactions in the hydrous systems (Mg 0.6 Fe 0.4 )SiO 3 –H 2 O–NaCl and FeO2H–NaCl in a laser-heated diamond-anvil cell up to 108 GPa and 2000 K. Applying single-crystal X-ray diffraction (XRD) analysis to individual submicrometer-sized grains, we have successfully determined the crystal structure of the as-synthesized FeCl 2 phase, in agreement with our theoretical structure search results. In situ high P-T XRD data revealed the substitution of Cl for OH(O) in such a cubic Pa$\bar{3}$ structure, demonstrating that this topology is a potential host for both H and Cl in the deep Earth. The chemical analysis of the recovered sample showed that the post-perovskite phase contains considerable amounts of Na 2 O and Fe 2 O 3 . The coexistence of the cubic FeCl 2 phase and post-perovskite suggests that the lowermost mantle could be a potential reservoir of Cl. The possible presence of volatiles such as H and Cl in the deep lower mantle would impact the composition and iron valence state of the post-perovskite phase.

58 GEOSCIENCES↗
DOE OSTI2022

Evidence of a room-temperature quantum spin Hall edge state in a higher-order topological insulator

Room-temperature realization of macroscopic quantum phases is one of the major pursuits in fundamental physics. The quantum spin Hall phase is a topological quantum phase that features a two-dimensional insulating bulk and a helical edge state. Here we use vector magnetic field and variable temperature based scanning tunnelling microscopy to provide micro-spectroscopic evidence for a room-temperature quantum spin Hall edge state on the surface of the higher-order topological insulator Bi 4 Br 4 . Here, we find that the atomically resolved lattice exhibits a large insulating gap of over 200 meV, and an atomically sharp monolayer step edge hosts an in-gap gapless state, suggesting topological bulk–boundary correspondence. An external magnetic field can gap the edge state, consistent with the time-reversal symmetry protection inherent in the underlying band topology. We further identify the geometrical hybridization of such edge states, which not only supports the Z 2 topology of the quantum spin Hall state but also visualizes the building blocks of the higher-order topological insulator phase. Our results further encourage the exploration of high-temperature transport quantization of the putative topological phase reported here.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

The influence of the processing parameters on the reactive flash sintering of ZrO 2 -CeO 2

Reactive flash sintering (RFS) is a method that was recently developed to produce dense single-phase bulk ceramic parts through solid-state reactions in a single-step that only takes a few minutes. The influence of the RFS parameters on the phase purity of a simple mixed oxide, (Zr 0.8 ,Ce 0.2 )O 2 , was investigated. Parameters such as furnace temperature, furnace atmosphere, electric current density, and alternating current (AC) or direct current (DC) were examined. It was found that (Zr 0.8 ,Ce 0.2 )O 2 pellets with high densities, above 90% of its theoretical density, can be produced by RFS in a few minutes when RFS occurs under oxidizing atmospheres, AC fields with current densities of 100 mA·mm –2 , and at a furnace temperature of 1200°C. Reducing conditions such as Ar-H 2 atmosphere and DC fields, low furnace temperatures, and low current densities resulted in phase impurities and poor reactions between the ZrO 2 and the CeO 2 powders. These results show that RFS is a useful method to produce mixed oxides, but it is very sensitive to the processing parameters. This is the first time that the influence of most of the RFS processing parameters has been studied systematically. Thus, the present work aims to provide guidelines on selecting the right processing parameters when exploring RFS.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermally superactive artificial kagome spin ice structures obtained with the interfacial Dzyaloshinskii-Moriya interaction

Artificial kagome spin ice exhibits exotic magnetic correlations driven by a combination of geometric frustration and dipolar interactions that, at low-enough temperature, can result in ordered phases. This order, whether it is the ground state of several kagome rings, or the theoretically predicted long-range order of an extended array, has yet to be experimentally observed. By introducing an interfacial Dzyaloshinskii-Moriya interaction, we are able to reduce the blocking temperature of the individual nanomagnets, allowing a system of 30 kagome nanomagnets to explore its vast manifold of microstates and find its ground state. Furthermore, the extracted magnetic correlations in an extended artificial kagome spin ice are found to exhibit quantitative signatures of long-range charge order, providing evidence of the theoretically predicted continuous phase transition to the charge-ordered state. The significant lowering of the blocking temperature in nanomagnets is important for the exploitation of superparamagnetism in artificial spin systems and devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Energy spectrum and current-phase relation of a nanowire Josephson junction close to the topological transition

A semiconducting nanowire proximitized by an $\textit{s}$-wave superconductor can be tuned into a topological state by an applied magnetic field. This quantum phase transition is marked by the emergence of Majorana zero modes at the ends of the wire. The fusion of Majorana modes at a junction between two nanowires results in a 4π-periodic Josephson effect. Here, we elucidate how the 4π periodicity arises across the topological phase transition in a highly-transparent short nanowire junction. Owing to a high transmission coefficient, Majorana zero modes coming from different wires are strongly coupled, with an energy scale set by the proximity-induced, field-independent pairing potential. At the same time, the topological spectral gap—defined by competition between superconducting correlations and Zeeman splitting—becomes narrow in the vicinity of the transition point. The resulting hybridization of the fused Majorana states with the spectral continuum strongly affects the electron density of states at the junction and its Josephson energy. We study the manifestations of this hybridization in the energy spectrum and phase dependence of the Josephson current. We pinpoint the experimentally observable signatures of the topological phase transition, focusing on junctions with weak backscattering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

In situ and ex situ studies of anomalous eutectic formation in undercooled Ni–Sn alloys

Anomalous eutectic formation in undercooled Ni-Sn alloys was investigated by in situ X-ray diffraction and ex situ remelting and annealing experiments. Dynamic recrystallization and partial remelting of primary solids followed by repeated nucleation and growth of eutectic grains in the mushy zone were revealed by time-resolved X-ray diffraction. Ex situ experiments demonstrated that partial remelting of near-equilibrium solidified alloys of eutectic or near-eutectic composition can convert regular lamellar eutectic into anomalous eutectic, whereas high-temperature annealing of splat-quenched alloys of similar composition can convert eutectic or two-phase dendrites into anomalous eutectic. It is concluded that compared to ripening in solid-states, partial remelting of eutectic or two-phase dendrites in a mushy zone provides a more realistic mechanism for anomalous eutectic formation in undercooled solidification of Ni-Sn eutectic alloys. (C) 2020 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Crystal growth↗
DOE OSTI2023

Methane mass transfer in mesoporous silica saturated with liquid hydrocarbons

Mass transfer across gas/liquid interfaces plays a central role in many industrial applications. In particular, gas dissolution and diffusion in liquid hydrocarbon mixtures, confined in nanometer-sized pores, is an essential mechanism during enhanced oil recovery (EOR) from unconventional formations. In this work, we have measured methane (C 1 ) diffusion in n-decane (C 10 ), n-hexadecane (C 16 ), and mixtures of C 10 + C 16 in a mesoporous material with an average pore size of 4 nm at 50 °C and ~ 8 MPa of gas pressure. A key conclusion of this work is that the diffusivities, measured in the bulk phase, for the relevant binary systems, are sufficient to predict the diffusion behavior of the corresponding multicomponent systems in the porous medium by using Wilke’s equation for the evaluation of effective component diffusivities, combined with an accurate equation of state (EOS) representation of the (bulk) phase behavior. This observation can facilitate accurate prediction of recovery processes in unconventional formations and, potentially, guide other applications that entail gas-liquid interface mass transfer in mesoporous materials.

42 ENGINEERING↗
DOE OSTI2019

Probing Electrochemical Mg-Ion Activity in MgCr 2– x V x O 4 Spinel Oxides

Mg migration in oxide spinels is impeded by strong affinity between divalent Mg and oxygen, suggesting a necessity of exploring new chemistry of solid lattices for functional Mg-ion electrode materials. Cationic mobility with a suitable activation energy in Cr spinels is Tn. evidenced by theoretical and experimental results, while redox potentials of V are appropriate to operate with currently limited candidates of '''c" nonaqueous electrolytes. By controlling the structure, composition, and complexity, a largely solid-solution MgCrVO 4 spinel was synthesized, which, unlike nanocornposites, can bring together the advantages of each transition metal in the lattice. The spinel was successfully synthesized by a simple solid-state reaction with minor inactive Cr- or V-rich components, which was confirmed via 25 Mg MAS NMR and high-resolution X-ray diffraction analyses. A thermally and anodically stable Mg(TPFA) 2 /triglyme electrolyte was utilized for high-temperature electrochemistry and lowering kinetic barriers at and across interfaces so as to observe intercalation behavior of Mg in the designed lattice. Multimodal characterization confirmed an apparent bulk demagnesiation from MgCrVO 4 with partial reversibility by probing evolution of the local and long-range structure as well as vanadium and chromium electronic states within the lattice. Furthermore, characterization experiments also provided a direct evidence for (de)intercalation reactions that occurred without any major competitive conversion reactions or insertion of protons into the lattice, except for the formation of a surface rock salt phase upon charge. These findings in Mg-ion activity expand opportunities to design Mg spinel oxide materials while highlighting the need to identify the origins of reversibility challenges due to, but not limited to, phase stability, particularly for the charged states, barriers at the interface, electrolyte stabilities, and desolvation phenomena, collectively hindering practical use as cathode materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2014

Potential Follow on Experiments for the Zero Boil Off Tank Experiment

Cryogenic Storage &Transfer are enabling propulsion technologies in the direct path of nearly all future human or robotic missions; It is identified by NASA as an area with greatest potential for cost saving; This proposal aims at resolving fundamental scientific issues behind the engineering development of the storage tanks; We propose to use the ISS lab to generate & collect archival scientific data:, raise our current state-of-the-art understanding of transport and phase change issues affecting the storage tank cryogenic fluid management (CFM), develop and validate state-of-the-art CFD models to innovate, optimize, and advance the future engineering designs

Thermodynamics↗
DOE OSTI2026

Electron-doping-induced destabilization of the dimerized insulating state in monolayer IrTe 2

The ability to tune the electronic phases of two-dimensional (2D) materials through external perturbations provides a powerful route to engineer functional nanoscale systems. In particular, the ground state of monolayer (ML) 1T-IrTe 2 is highly sensitive to the interplay between local chemical bonding and global electronic topology, leading to a unique 2 × 1 dimerized insulating phase. Here, we present an angle-resolved photoemission study on the evolution of the electronic structure in ML IrTe 2 induced by in situ Rb adsorption. We find that Rb adsorption suppresses the 2 × 1 dimerized phase in ML IrTe 2 , inducing a clear insulator-to-metal transition. This transition is characterized by a reconstruction of the band topology toward a bilayer-like metallic configuration. Combined with first-principles calculations, our results demonstrate that the collapse of the insulating state originates from Ir valence change and suppression of Fermi surface nesting-driven instabilities. Our findings establish ML IrTe 2 as a model system for investigating instability-driven phase control in 2D materials and highlight its potential for tunable electronic applications.

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

Nonvolatile Electrochemical Random‐Access Memory under Short Circuit

Abstract Electrochemical random‐access memory (ECRAM) is a recently developed and highly promising analog resistive memory element for in‐memory computing. One longstanding challenge of ECRAM is attaining retention time beyond a few hours. This short retention has precluded ECRAM from being considered for inference classification in deep neural networks, which is likely the largest opportunity for in‐memory computing. In this work, an ECRAM cell with orders of magnitude longer retention than previously achieved is developed, and which is anticipated to exceed ten years at 85 °C. This study hypothesizes that the origin of this exceptional retention is phase separation, which enables the formation of multiple effectively equilibrium resistance states. This work highlights the promises and opportunities to use phase separation to yield ECRAM cells with exceptionally long, and potentially permanent, retention times.

Kim, Diana S.↗
DOE OSTI2021

Topological descendants of a multicritical Dirac semimetal with magnetism and strain

The past decades have witnessed a transformation in characterizing condensed matter systems with topology. Aided by a refined understanding of topological band structures with crystalline symmetries that has emerged recently, many electronic phases have been identified, and a plethora of materials have been predicted to host properties and functionalities. A key underlying question, also with respect to future application, is to what extent the related physical features can be manipulated, especially in the context of magnetic order. Here, we describe a paradigmatic semimetal that simultaneously incorporates multiple and sometimes conflicting topology which guarantees gaplessness and leads to an exceptionally rich family of descendent phases on lowering symmetry. We predict that this multicritical phase is realized in EuTl 2 . Starting from the parent semimetallic state, which already separates two topological insulating regimes, the interplay of inherent magnetism and strain allows for an exceptionally rich phase diagram of topological descendant states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Synthesis and Characterization of Magnesium Vanadates as Potential Magnesium-Ion Cathode Materials through an Ab Initio Guided Carbothermal Reduction Approach**

Many technologically relevant materials for advanced energy storage and catalysis feature reduced transition-metal (TM) oxides that are often nontrivial to prepare because of the need to control the reducing nature of the atmosphere in which they are synthesized. In this report, we show that an ab initio predictive synthesis strategy can be used to produce multi-gram-scale products of various MgV x O y -type phases (δ-MgV 2 O 5 , spinel MgV 2 O 4 , and MgVO 3 ) containing V 3+ or V 4+ relevant for Mg-ion battery cathodes. Characterization of these phases using 25 Mg solid-state NMR spectroscopy illustrates the potential of 25 Mg NMR for studying reversible magnesiation and local charge distributions. Rotor-assisted population transfer (RAPT) is used as a much-needed signal-to-noise enhancement technique. The ab initio guided synthesis method is seen as a step forward towards a predictive synthesis strategy for targeting specific complex TM oxides with variable oxidation states of technological importance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Stability of the interorbital-hopping mechanism for ferromagnetism in multi-orbital Hubbard models

The emergence of insulating ferromagnetic phase in iron oxychalcogenide chain system has been recently argued to be originated by interorbital hopping mechanism. However, the practical conditions for the stability of such mechanism still prevents the observation of ferromagnetic in many materials. Here, we study the stability range of such ferromagnetic phase under modifications in the crystal fields and electronic correlation strength, constructing a theoretical phase diagram. We find a rich emergence of phases, including a ferromagnetic Mott insulator, a ferromagnetic orbital-selective Mott phase, together with antiferromagnetic and ferromagnetic metallic states. We characterize the stability of the ferromagnetic regime in both the Mott insulator and the ferromagnetic orbital-selective Mott phase forms. We identify a large stability range in the phase diagram at both intermediate and strong electronic correlations, demonstrating the capability of the interorbital hopping mechanism in stabilizing ferromagnetic insulators. Our results may enable additional design strategies to expand the relatively small family of known ferromagnetic insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Impact of peripheral alkyl chain length on mesocrystal assemblies of G2 dendrons

Unique sphere-packing mesophases such as Frank–Kasper (FK) phases have emerged from the viable design of intermolecular interactions in supramolecular assemblies. In this work, a series of C n -G2-CONH 2 dendrons possessing an identical core wedge are investigated to elucidate the impact of peripheral alkyl chain lengths (C n ) on the formation of the close-packed structures. The C 18 and C 14 dendrons, of which the contour lengths of the periphery L p are longer than the wedge length L w , assemble into a uniform sphere-packing phase such as body-centred cubic (BCC), whereas the C 8 dendron with short (L p < L w ) corona environment forms the FK A15 phase. Particularly in the intermediate C 12 and C 10 dendrons (L p ≈ L w ), cooling the samples from an isotropic state leads to cooling-rate-dependent phase behaviours. The C 12 dendron produces two structures of hexagonal columnar and sphere-packing phases (BCC and A15), while the C 10 dendron generates the A15 and σ phases by the fast- and slow-cooling processes, respectively. Our results show the impact of peripheral alkyl chain lengths on the formation of mesocrystal phases, where the energy landscape of the dendrons at L p /L w ≈ 1 must be more complex and delicate than those with either longer or shorter peripheral alkyl chains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗