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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Reactive Oxygen Ion Beam-Induced Deposition for Concurrent Purification of Platinum Nanostructures

Oxygen-focused ion beam induced deposition (O-FIBID) enables the direct-write fabrication of Pt nanostructures while simultaneously enhancing purity concurrently through reactive oxygen–deposit interactions. By systematically varying the dwell time, accelerating voltage, and precursor pressure, the Pt content and conductivity can be controlled. Under optimum conditions, the Pt content reached 63 at.%. Across the dwell-time range used for resistivity measurements, the Pt content increased from 20 to 33 at.%, while the resistivity decreased from 2.9 × 10 4 μΩ·cm to 1.2 × 10 3 μΩ·cm, which is consistent with enhanced percolation through Pt grains and the lower intrinsic resistivity of the purer Pt deposit. The simulation results support a purification mechanism driven by the beam-induced activation of implanted oxygen balanced against the preferential sputtering of Pt. These results demonstrate O-FIBID as a viable method for the nanoscale direct write of conductive Pt without post-processing, and some deviations from conventional FIBID wisdom are observed. These results serve as a foundation for exploring nascent, reactive focused ion beam-induced deposition processes.

deposit purification↗
DOE OSTI2020

On negative induced polarization in frequency domain measurements

SUMMARY Induced polarization (IP) has been widely used to non-invasively characterize electrical conduction and polarization in the subsurface resulting from an applied electric field. Earth materials exhibit a lossy capacitance defined by a negative intrinsic phase in frequency-domain IP (FDIP) or a positive intrinsic chargeability in time-domain IP (TDIP). However, error-free positive apparent phase or negative apparent chargeability (i.e. negative IP effects) can occur in IP measurements over heterogeneous media. While negative IP effects in TDIP data sets have been discussed, no studies have addressed this topic in detail for FDIP measurements. We describe theory and numerical modelling to explain the origin of negative IP effects in FDIP measurements. A positive apparent phase may occur when a relatively high polarizability feature falls into negative sensitivity zones of complex resistivity measurements. The polarity of the apparent phase is determined by the distribution of subsurface intrinsic phase and resistivity, with the resistivity impacting the apparent phase polarity via its control on the sensitivity distribution. A physical explanation for the occurrence of positive apparent phase data is provided by an electric circuit model representing a four-electrode measurement. We also show that the apparent phase polarity will be frequency dependent when resistivity changes significantly with frequency (i.e. in the presence of significant IP effects). Consequently, negative IP effects manifest themselves in the shape of apparent phase spectra recorded with multifrequency (spectral IP) data sets. Our results imply that positive apparent phase measurements should be anticipated and should be retained during inversion and interpretation of single frequency and spectral IP data sets.

Geochemistry & Geophysics↗
DOE OSTI2026

Development of in situ thickness sensor for vapor diffused Nb3Sn films

Fermilab is one of the leaders in development of vapor diffused Nb3Sn films inside niobium cavities. This material has a higher critical temperature (Tc) than niobium, enabling cavity operation at 4.2 K. This higher operational temperature significantly reduces the infrastructure required for cooling compared to 2 K systems, making superconducting radio-frequency (SRF) technology more accessible. Current deposition methods have relied on iterative testing to determine nominal film thickness, a process that can be time-consuming and imprecise. To address this, we are developing a sensor to measure the thickness of Nb3Sn thin film in situ during vapor diffusion. Our design involves a four-point resistance measurement of a thin film of niobium, inside the coating region. During coating, the change in resistance reflects the conversion of the film from Nb to Nb3Sn, which allows simple integration with the current furnace infrastructure. This sensor would allow real time measurement of the Nb3Sn film thickness, allowing for increased precision in future depositions for cavity applications.

Howard, K. [Chicago U.] (ORCID:0000000325613308)↗
DOE OSTI2025

Pressure-Induced Phase Transitions in Bilayer La 3 Ni 2 O 7

La 3 Ni 2 O 7 differs from expectations in part because at ambient pressure, it exists in two polymorphs: an unconventional crystal structure with alternating layers of single- and triple-layered nickel−oxygen octahedra (i.e., La 2 NiO 4 plus La 4 Ni 3 O 10 , with the so-called 1313 crystal structure) and a classical double-layer Ruddlesden−Popper phase (i.e., La 3 Ni 2 O 7 , with the so-called 2222 crystal structure, which dominates at high pressure). In this study, we report the pressure-dependent structural and electrical resistive properties of single crystals of the classical double-layered La 3 Ni 2 O 7 , grown at slightly elevated pressure using the floating-zone method. Structural characterization under pressures up to 15.4 GPa reveals a gradual transition from orthorhombic to tetragonal symmetry that is completed at 12−14 GPa. Additionally, we present pressure and field-dependent electrical resistance measurements up to 27.4 GPa, from which we construct a phase diagram. Although a resistive transition at 80 K is observed at high pressures, the resistive hallmarks of superconductivity are not.

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

Topological surface conduction in Kondo insulator YbB 12

Kondo insulators have recently aroused great interest because they are promising materials that host a topological insulator state caused by the strong electron interactions. Moreover, recent observations of the quantum oscillations in the insulating state of Kondo insulators have come as a great surprise. Here, we investigate the surface electronic state of a prototype Kondo insulator YbB 12 , we measured the transport properties of single crystals and microstructures. In all samples, the temperature dependence of the electrical resistivity is insulating at high temperatures and the resistivity exhibits a plateau at low temperatures. The magnitude of the plateau value decreases with reducing sample thickness, which is quantitatively consistent with the surface electronic conduction in the bulk insulating YbB 12 . Moreover, the magnetoresistance of the microstructures exhibits a weak-antilocalization effect at low field. These results are consistent with the presence of a topologically protected surface state, suggesting that YbB 12 is a candidate material for a topological Kondo insulator. The high field resistivity measurements up to µ 0 H = 50 T of the microstructures provide supporting evidence that the quantum oscillations of the resistivity in YbB 12 occurs in the insulating bulk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Ambient and High Pressure CuNiSb 2 : Metal-Ordered and Metal-Disordered NiAs-Type Derivative Pnictides

The mineral Zlatogorite, CuNiSb 2 , was synthesized in the laboratory for the first time by annealing elements at ambient pressure (CuNiSb 2 -AP). Rietveld refinement of synchrotron powder X-ray diffraction data indicates that CuNiSb 2 -AP crystallizes in the NiAs-derived structure ( P 3 m 1, #164) with Cu and Ni ordering. The structure consists of alternate NiSb 6 and CuSb 6 octahedral layers via face-sharing. The formation of such structure instead of metal disordered NiAs-type structure ( P 6 3 / mm c, #194) is validated by the lower energy of the ordered phase by first-principle calculations. Interatomic crystal orbital Hamilton population, electron localization function, and charge density analysis reveal strong Ni-Sb, Cu-Sb, and Cu-Ni bonding and long weak Sb-Sb interactions in CuNiSb 2 -AP. The magnetic measurement indicates that CuNiSb 2 -AP is Pauli paramagnetic. First-principle calculations and experimental electrical resistivity measurements reveal that CuNiSb 2 -AP is a metal. The low Seebeck coefficient and large thermal conductivity suggest that CuNiSb 2 is not a potential thermoelectric material. Single crystals were grown by chemical vapor transport. The high pressure sample (CuNiSb 2 -8 GPa) was prepared by pressing CuNiSb 2 -AP at 700 °C and 8 GPa. However, the structures of single crystal and CuNiSb 2 -8 GPa are best fit with a disordered metal structure in the P 3 m 1 space group, corroborated by transmission electron microscopy.

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

Synthesis and electrical behavior of VO 2 thin films grown on SrRuO 3 electrode layers

VO 2 thin films were grown on conducting oxide underlayer SrRuO 3 buffered SrTiO 3 (111) and Si/SiO 2 substrates, respectively, using sputtering. X-ray diffraction phi-scans revealed the epitaxial nature of the VO 2 films grown on SrRuO 3 buffered SrTiO 3 and polycrystalline structure for films grown on SrRuO 3 buffered Si/SiO 2 . X-ray photoelectron spectroscopy confirms a dominant presence of V 4+ in both films and establishes a high-quality growth of single-phase VO 2 films. Temperature and electric-field driven metal-insulator-transition in both the in-plane and out-of-plane configurations were investigated. Depending on the configuration, the resistance change across the metal-insulator-transition varies from a factor of 1.57–3. The measured resistance in each state as well as the magnitude of resistance change were similar during temperature and electric-field driven metal-insulator-transition. To shed light on the suppressed metal-insulator-transition characteristics due to the current shunting effect from conducting SrRuO 3 bottom electrode, a distributed resistance network model is proposed and benchmarked against reports from the literature. Here, the results demonstrate the growth of high-quality VO 2 on conducting SrRuO 3 layers and their electrical behavior, which is of particular interest for all-oxide electronic devices utilizing phase transitions such as resistive memory and neuromorphic oscillators.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Observation of an Unexpected n -Type Semiconducting Behavior in the New Ternary Zintl Phase Eu 3 InAs 3

The ternary arsenides Eu 3 InAs 3 and Sr 3 InAs 3 have been obtained by reactions of the elements in In flux at 1373 K. Structure elucidation by single-crystal X-ray diffraction reveals that Eu 3 InAs 3 and Sr 3 InAs 3 adopt the same orthorhombic structure (space group Pnma, Z = 4, Ca 3 AlAs 3 structure type) with unit cell parameters a = 12.9179(9) Å, b = 4.3990(3) Å, c = 13.9337(10) Å and a = 13.0218(11) Å, b = 4.4364(4) Å, c = 14.1339(12) Å, respectively. The structure consists of linear chains of corner-sharing InAs4 tetrahedra, [InAs 2 As 2/2 ] 6– , and Eu 2+ /Sr 2+ cations. Therefore, both Eu 3 InAs 3 and Sr 3 InAs 3 are valence-precise Zintl phases. As expected from the closed-shell electronic configurations, semiconducting behavior is confirmed by resistivity measurements on single crystals for both and by electronic band structure calculations for Sr 3 InAs 3 . The temperature dependence of resistivity and the computational work are in agreement that Eu 3 InAs 3 and Sr 3 InAs 3 are intrinsic semiconductors with narrow band gaps. Thermopower measurement on single-crystalline samples of Eu 3 InAs 3 shows that in the whole measured temperature range, from 300 to 700 K, the values for the Seebeck coefficient are negative. The observation of a negative Seebeck coefficient with very large absolute value (>400–500 μV K –1 at 700 K) is unexpected among the Zintl phases and suggestive that electrons are the majority charge carriers. Such a rare, n-type charge transport in an undoped compound such as Eu 3 InAs 3 , a material that has not been purposely optimized, could indicate native “defect” chemistry, and not extrinsic doping, as a reason for the unusual behavior. Here, a possible explanation involves a mixed-valent Eu 2+ /Eu 3+ state, which might be inferred from the measured effective paramagnetic moment of 7.2 μB per Eu atom, which is lower than the theoretically predicted value for free-ion moment of 7.9 μ B /Eu.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Investigation of magnetic and electrical transport properties of YMB 4 (M = Cr, Fe, and Co) compounds

We have studied the structural, magnetic, and electrical transport properties of the YMB 4 series of compounds (M= Cr, Fe, and Co). These materials exhibit high stability and possess notable refractory and thermoelectric properties. Furthermore, recent theoretical predictions suggest that some of these compounds may display quantum magnetism and dimer formation among the magnetic ions. We have synthesized almost single phase YMB 4 compounds in the orthorhombic crystal structure (space group Pbam) using arc-melting and annealing. The Rietveld analysis of the room-temperature X-ray diffraction patterns reveals a clear change in the lattice parameter c, which correlates with the atomic radii of Cr, Fe, and Co. The temperature variation of resistivity measured between 2 K and 300 K reveals a metallic electron transport in all three YMB 4 compounds. However, no abrupt change in resistivity due to structural or magnetic phase transitions is observed. Additionally, a weak positive magnetoresistance of 1%–2% has been measured at 2.5 K, the contribution from the metallic impurity cannot be ruled out. The carrier concentration, on the order of 10 21 cm −3 , has been determined using conventional Hall measurements. The thermomagnetic curves recorded between 2 K and 350 K reveal the non-magnetic behavior of all these compounds. However, a small magnetic moment from paramagnetic/ferromagnetic impurity phases is detected at low temperatures. Above room temperature, no magnetic transition associated with the breaking of a dimer is observed.

borides↗
DOE OSTI2024

Strain-dependent insulating state and Kondo effect in epitaxial SrIrO 3 films

The large spin-orbit coupling in iridium oxides plays a significant role in driving novel physical behaviors, including emergent phenomena in the films and heterostructures of perovskite and Ruddlesden-Popper iridates. Here, in this Letter, we study the role of epitaxial strain on the electronic behavior of thin SrIrO 3 films. We find that compressive epitaxial strain leads to metallic transport behavior, but a slight tensile strain shows gapped behavior. Temperature-dependent resistivity measurements are used to examine different behaviors in films as a function of strain. We find Kondo contributions to the resistivity, with stronger effects in films that are thinner and under less compressive epitaxial strain. These results show the potential to tune SrIrO 3 into Kondo insulating states and open possibilities for a quantum critical point that can be controlled with strain in epitaxial films.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Pulsed laser deposition nickel oxide on crystalline silicon as hole selective contacts

In this work, the authors report the use of pulsed laser deposition to fabricate nickel oxide layers on silicon and assess the applicability of this structure as a hole selective contact. Films were deposited at temperatures of 300, 500, 700, and 900 °C. Results from reflective high energy electron diffraction patterns indicate increasing crystallinity with temperature up to 500 °C. However, layers deposited at 900 °C are amorphous. Nevertheless, results from atomic force microscopy, contact resistance measurements, and photoluminescence lifetime imaging indicate that films deposited at 900 °C have the best film smoothness, lowest specific contact resistivity, and highest lifetimes, and therefore, they are best suited for hole selective contact applications. Kelvin probe force microscopy and x-ray photoelectron spectroscopy were also carried out to study the effects of deposition temperature.

42 ENGINEERING↗
DOE OSTI2024

Pressure-induced superconductivity in a novel germanium allotrope

High-pressure studies on elements play an essential role in superconductivity research, with implications for both fundamental science and applications. Here we report the experimental discovery of surprisingly low pressure driving a novel germanium allotrope into a superconducting state in comparison to that for α-Ge. Raman measurements revealed structural phase transitions and possible electronic topological transitions under pressure up to 58 GPa. Based on pressure-dependent resistivity measurements, superconductivity was induced above 2 GPa and the maximum T c of 6.8 K was observed under 4.6 GPa. Interestingly, a superconductivity enhancement was discovered during decompression, indicating the possibility of maintaining pressure-induced superconductivity at ambient pressure with better superconducting performance. Density functional theory analysis further suggested that the electronic structure of Ge (oP32) is sensitive to its detailed geometry and revealed that disorder in the β-tin structure leads to a higher T c in comparison to the perfect β-tin Ge.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

A first principles approach for determining solute effect on electrical resistivity of Aluminum solid solution

There are no general approaches for predicting the effect of solutes on electrical resistivity changes in aluminum (Al) solid solutions. Here, we introduce a first principles-based approach for predicting temperature-dependent electrical resistivity of Al solid solutions. A combination of electronic structure methods was applied to calculate electronic scattering effects on chemical disorder and temperature induced atomic vibrations or phonons. Our calculations are validated by contrasting experimental resistivity measurements for two elements in Al solid solution: at 0.3 at. % concentration, Sn (an sp-valence solute) increases the residual resistivity by 0.2 μΩ·m, whereas Zr (a d-valence solute) causes a 2.5 μΩ·m increase. This trend may deviate for solute elements in Al that form semiconductors in pure state, like Si. Our findings provide an understanding of the role of valence electron character of solute atoms in determining electrical resistivity of Al alloys.

Samolyuk, German [ORNL] (ORCID:0000000168778255)↗
DOE OSTI2021

Spin Reorientation in Antiferromagnetic Layered FePt 5 P

FePt 5 P, a substitutional variant of the anti-CeCoIn 5 structure type in the space group P4/mmm, was synthesized by a high-temperature solid-state method and structurally characterized by X-ray diffraction. FePt 5 P contains layers of FePt 12 clusters formed by magnetically active Fe and heavy Pt with strong spin-orbit coupling (SOC); the layers are separated by P atoms. The various Fe–Pt distances in FePt 12 clusters generate complex magnetic orders in FePt 5 P. According to temperature-dependent magnetic and specific heat measurements, FePt 5 P shows a stripe-type antiferromagnetic order at T N ≈ 90 K, which is also confirmed by resistivity measurements. Furthermore, a spin reorientation occurs at ~74 and ~68 K in and out of the ab plane based on the specific heat measurements. The temperature-dependent neutron powder diffraction patterns demonstrate the antiferromagnetic order in FePt 5 P, and the spins orientate up to 58.4° with respect to the c axis at 10 K. First-principles calculations of FePt 5 P show the band splitting at the Fermi level by strong SOC and the s–d hybridization between P and Fe/Pt electrons enhances the structural stability and affects the magnetic ordering.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effects of Co substitution on the structural and magnetic properties of Sr ( Ni 1 - x Co x ) 2 P 2

Although SrNi 2 P 2 adopts the common ThCr 2 Si 2 structure for T ≥ 325 K, being in an uncollapsed tetragonal state rather than a collapsed tetragonal version, it is a special case for the ThCr 2 Si 2 class: on cooling below 325 K it adopts a one-third collapsed orthorhombic phase where one out of every three P rows bonds across the Sr layers. On the other hand, SrCo 2 P 2 only exhibits the uncollapsed ThCr 2 Si 2 structure from room temperature down to 1.8 K. Regardless of their low-temperature structures, neither SrNi 2 P 2 nor SrCo 2 P 2 manifests magnetic transitions down to 50 mK and 2 K, respectively. In this work we report the effects of Co substitution in Sr(Ni 1 - x Co x ) 2 P 2 , which allows for tuning the transition between the one-third collapsed and the uncollapsed structure. We find a rapid decrease of the one-third collapsed structural transition temperature with increasing Co fraction, until reaching full suppression for x ≥ 0.1. Substitution levels in the range 0.11 ≤ x ≤ 0.58 show no signs of any transition down to 1.8 K in the magnetization or resistance measurements in the range 1.8 ≤ T ≤ 300 K. However, different magnetically ordered states emerge for x ≥ 0.65, and disappear for x ≥ 0.99, recovering the known paramagnetic properties of the parent compound SrCo 2 P 2 . Further, these results are summarized in a phase diagram, built upon the characterization by energy dispersive x-ray spectroscopy, x-ray diffraction, temperature-dependent resistance, and field- and temperature-dependent magnetization measurements done on single crystals with different Co fraction. Both the magnetic and structural properties are compared to other systems with ThCr 2 Si 2 structure that exhibit magnetic ordering and collapsed tetragonal transitions. The magnetic ordering and moment formation are well described by Takahashi's spin fluctuation theory of itinerant electron magnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Topological monopole's gauge field‐induced anomalous Hall effect in artificial honeycomb lattice

Abstract Vortex magnetic structure in artificial honeycomb lattice provides a unique platform to explore emergent properties due to the additional Berry phase curvature imparted by chiral magnetization to circulating electrons via direct interaction. We argue that while the perpendicularly aligned magnetic component leads to the quantized flux of monopole at the center of the Berry sphere, the in‐plane vortex circulation of magnetization gives rise to unexpected nontrivial topological Berry phase due to the gauge field transformation. The unprecedented effect signifies the importance of vector potential in multiply connected geometrical systems. Experimental confirmations to proposed hypotheses are obtained from Hall resistance measurements on permalloy honeycomb lattice. Investigation of the topological gauge transformation due to the in‐plane chirality reveals anomalous quasi‐oscillatory behavior in Hall resistance as a function of perpendicular field. The oscillatory nature of is owed to the fluctuation in equilibrium current as a function of Fermi wave‐vector , envisaged under the proposed new formulation in this article. Our synergistic approach suggests that artificially tunable nanostructured material provides new vista to the exploration of topological phenomena of strong fundamental importance. Key Points Demonstration of gauge field flux due to vortex magnetism. Anomalous Hall effect in magnetic honeycomb lattice. Topological monopole‐induced magnetic flux.

Guo, Jiasen↗
DOE OSTI2026

Superlattice reflection signatures of the insulator–metal transition in V 3 O 5 thin films

Nanoelectronic systems that are inspired by the brain are increasingly looking to insulator–metal transition (IMT) materials as they can mimic the response characteristics of neurons to temperature changes so that these can be used in robotic and computational applications. V 3 O 5 has an insulator–metal transition at ∼430 or ∼80 K higher than VO 2 and provides a unique high-temperature opportunity for these types of applications. Here, in this work, we track the structural evolution of V 3 O 5 thin films across the IMT through conventional selected-area electron diffraction (SAED) and four-dimensional scanning TEM (4D-STEM), correlated with temperature-dependent resistance measurements. SAED patterns show reversible evidence of superlattice reflections associated with the IMT—present below T IMT and absent above it—consistent with the accompanying drop in resistance. At room temperature, nanobeam electron diffraction patterns further reveal three local configurations: (i) type I regions with clean patterns lacking superlattice reflections and spot splitting; (ii) type II regions exhibiting rows of superlattice reflections and split spots indicative of crystallographic variants; and (iii) type III regions with negligible superlattice reflections but larger spot splitting suggestive of overlapping domains of insulating and conducting phases likely driven by local lattice distortions. Upon heating, the superlattice reflections disappear between 413 and 453 K, concurrent with the resistance drop at T IMT , consistent with the emergence of a conducting phase. The overall diffraction geometry remains essentially unchanged up to 573 K, implying that relative domain orientations persist through the transition. These observations reveal nanoscale structural heterogeneity in V 3 O 5 thin films across the IMT and inform operation in regimes where mixed-phase textures are expected. A plausible indexing framework rationalizing the observed geometries is presented in the Discussion section, alongside its limitations and alternative interpretations.

25 ENERGY STORAGE↗
DOE OSTI2021

Hydrodynamic and Ballistic Transport over Large Length Scales in GaAs/AlGaAs

We study hydrodynamic and ballistic transport regimes through nonlocal resistance measurements and high-resolution kinetic simulations in a mesoscopic structure on a high-mobility two-dimensional electron system in a GaAs/AlGaAs heterostructure. We evince the existence of collective transport phenomena in both regimes and demonstrate that negative nonlocal resistances and current vortices are not exclusive to only the hydrodynamic regime. Here, the combined experiments and simulations highlight the importance of device design, measurement schemes, and one-to-one modeling of experimental devices to demarcate various transport regimes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗