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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Controlled Growth of Ta Oxide With Reactive Sputtering for Overlap Josephson Junction Application

Josephson junctions $\($JJs$\)$ are indispensable elements for superconducting quantum electronics. There is a growing need to develop processes for high quality JJs. Here we explore the growth of Ta oxide as a dielectric barrier for Metal-Oxide-Metal overlap JJ implementations. We study films of Ta oxides prepared with reactive magnetron sputtering. TaOx is grown on silicon and Ta films with varying RF power and oxygen concentrations. Tuning these parameters allows us to control the rate of deposition as well as composition of polycrystalline Ta oxides needed to meet our dielectric requirements for Josephson Junctions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Auger@TA: In-situ Cross-Calibration of the World's Largest Cosmic Ray Observatories

The Pierre Auger Observatory (Auger) and the Telescope Array (TA) are the world's two largest ultra-high-energy cosmic ray (UHECR) observatories. They operate in the Southern and Northern hemispheres, respectively, at similar latitudes but with distinct surface detector (SD) designs. A significant challenge in studying UHECR physics across the full sky is the apparent discrepancy in flux measurements between the two experiments. This discrepancy could arise from astrophysical differences and/or systematic effects related to their detector designs and sensitivities to extensive air shower components. To address this, the Auger@TA working group aims to cross-calibrate the two observatories with a self-triggering micro-Auger array within the TA array. This micro-array consists of eight Auger Surface Detector (SD) stations equipped with Water Cherenkov Detectors (WCDs) and AugerPrime Surface Scintillator Detectors. Seven SD stations, configured with a centered-1-PMT design, are arranged in a hexagonal pattern with one station in the center, with 1.5 km spacing, mirroring the Auger layout. The eighth station, which features a standard 3-PMT Auger station, is located in conjunction with a TA detector at the center of the hexagon, forming a triplet for high-statistics and low-uncertainty cross-calibration. A custom communication system that uses readily available components enables seamless communication between stations and remote access to each station through a central computer. The micro-array is now fully deployed, and initial data-taking is about to start. This presentation will detail the instrumentation, communication systems, central data acquisition system, expected performance of the micro-array, and preliminary results as appropriate.

Mocellin, Adriel G.B. [Colorado School of Mines]↗
DOE OSTI2025

Comparison of Nb and Ta Pentoxide Loss Tangents for Superconducting Quantum Devices

Superconducting transmon qubits are commonly made with thin-film Nb wiring, but recent studies have shown increased performance with Ta wiring. In this work, we compare the resonator-induced single photon, millikelvin dielectric loss for pentoxides of Nb (Nb2O5) and Ta (Ta2O5) in order to further understand limiting losses in qubits. Nb and Ta pentoxides of three thicknesses are deposited via pulsed laser deposition onto identical coplanar waveguide resonators. The two-level system (TLS) loss in Nb2O5 is determined to be about 30% higher than that of Ta2O5. This work indicates that qubits with Nb wiring are affected by higher loss arising from the native pentoxide itself, likely in addition to the presence of suboxides, which are largely absent in Ta.

Goronzy, D. P. [Northwestern U.]↗
DOE OSTI2020

Materials Data on Ta(TeBr3)2 by Materials Project

Ta(TeBr3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Ta(TeBr3)2 clusters. Ta4+ is bonded in an octahedral geometry to six Br1- atoms. There are a spread of Ta–Br bond distances ranging from 2.45–2.68 Å. There are two inequivalent Te1+ sites. In the first Te1+ site, Te1+ is bonded in a single-bond geometry to one Br1- atom. The Te–Br bond length is 3.18 Å. In the second Te1+ site, Te1+ is bonded in a single-bond geometry to one Br1- atom. The Te–Br bond length is 3.26 Å. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ atom. In the second Br1- site, Br1- is bonded in a distorted water-like geometry to one Ta4+ and one Te1+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ atom. In the fourth Br1- site, Br1- is bonded in a distorted water-like geometry to one Ta4+ and one Te1+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta(BO)2 by Materials Project

Ta(BO)2 crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of eight Ta(BO)2 clusters. Ta4+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ta–O bond lengths are 1.96 Å. B is bonded in a single-bond geometry to one O2- atom. The B–O bond length is 1.31 Å. O2- is bonded in a bent 150 degrees geometry to one Ta4+ and one B atom.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Enhanced Radiation Damage Tolerance of Amorphous Interphase and Grain Boundary Complexions in Cu-Ta

Amorphous interfacial complexions are particularly resistant to radiation damage and have been primarily studied in alloys with good glass-forming ability, yet recent reports suggest that these features can form even in immiscible alloys such as Cu-Ta under irradiation. In this work, the mechanisms of damage production and annihilation due to primary knock-on atom collisions are investigated for amorphous interphase and grain boundaries in a Cu-Ta alloy using atomistic simulations. Amorphous complexions, in particular amorphous interphase complexions that separate Cu and Ta grains, result in less residual defect damage than their ordered counterparts. Stemming from the nanophase chemical separation in this alloy, the amorphous complexions exhibit a highly heterogeneous distribution of atomic excess volume, as compared to a good glass former like Cu-Zr. Complexion thickness, a tunable structural descriptor, plays a vital role in damage resistance. Thicker interfacial films are more damage-tolerant because they alter the defect production rate due to differences in intrinsic displacement threshold energies during the collision cascade. Overall, the findings of this work highlight the importance of interfacial engineering in enhancing the properties of materials operating in radiation-prone environments and the promise of amorphous complexions as particularly radiation damage-tolerant microstructural features.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Lithium-Ion Mobility in Layered Oxide Li 2 (La 0.75 Li 0.25 )(Ta 1.5 Ti 0.5 )O 7 Containing Lithium on both Intra and Inter‐Stack Positions

With the aid of neutron diffraction and electrochemical impedance spectroscopy, we have demonstrated the effect of the increase in lithium concentration and distribution on Li-ion conductivity. This has been done through the synthesis of a layered oxide Li 2 (La 0.75 Li 0.25 )(Ta 1.5 Ti 0.5 )O 7 , with the so-called Ruddlesden-Popper type structure, where bilayer stacks of (Ta/Ti)O 6 octahedra are separated by lithium ions, located in inter-stack spaces. There are also intra-stack spaces that are occupied by a mixture of La and Li, as confirmed by neutron diffraction. The distribution of lithium over both inter- and intra-stack positions leads to the enhancement of Li-ion conductivity in Li 2 (La 0.75 Li 0.25 )(Ta 1.5 Ti 0.5 )O 7 compared to Li 2 La(TaTi)O 7 , which has a lower concentration of lithium ions, located only in inter-stack spaces. Furthermore, the analyses of real and imaginary components of electrochemical impedance data confirm the enhanced mobility of ions in Li 2 (La 0.75 Li 0.25 )(Ta 1.5 Ti 0.5 )O 7 . While the Li-ion conductivity needs further improvement for practical applications, the success of the strategy implemented in this work offers a useful methodology for the design of layered ionic conductors.

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

Boundary characterization using 3D mapping of geometrically necessary dislocations in AM Ta microstructure

Additive manufacturing (AM) of high strength metallic materials produces microstructures and defects that deviate substantially from those created through conventional manufacturing methods. It has recently been demonstrated that with application of extreme energy densities, a high-temperature refractory metal, tantalum (Ta), can be printed to a fully dense state with exceptionally low porosity. Here we employ a combination of three-dimensional electron backscattered diffraction (EBSD) TriBeam technology and crystallographic geometrically necessary dislocation (GND) theory to characterize the microstructure and defect boundaries of this unusual AM product. Two-dimensional (2D) EBSD and these three-dimensional (3D) measurements indicate that the microstructure of AM Ta is highly oriented <111> along the build direction, yet at the same time contains large crystallographic orientation gradients that span mm’s across the build. Crystallographic GND density analysis of the 3D microstructure reveals that highly misoriented subboundaries exist within this strongly textured microstructure that have large dislocation densities of 1×10 16 m –2 , just as large as those comprising the high-angle grain boundaries (HAGBs) in the same material. The 3D crystallographic GND density mapping reveals these subboundaries are part of a complex, finely spaced network that extends throughout the entire microstructure. Here, the orientation of these boundaries can be related to the scan strategy used during printing. TEM measurements corroborate an extremely high dislocation density at the microscale and indicate a cell-like dislocation network structure existing in the AM Ta at the sub-μm scale.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Synthesis, sintering, and grain growth kinetics of Hf 6 Ta 2 O 17

Here Aasystematic study of the solid-state synthesis, pressureless sintering, and grain growth kinetics of Hf 6 Ta 2 O 17 is presented. The ideal conditions for solids-state synthesis of Hf 6 Ta 2 O 17 powder with minimal particle necking was 1250 °C for 2 h in air. The resultant powder has an average particle size of 210 ± 70 nm. The combined synthesis and ball-milling procedure produces highly sinterable Hf 6 Ta 2 O 17 powder, achieving > 97 % of theoretical density after pressureless sintering at 1600 °C for 2 h in air. The grain growth mechanism was sensitive to processing conditions, appearing to be primarily driven by surface diffusion below 1600 °C and grain boundary diffusion above 1650 °C. The respective activation energies for grain growth were found to be Q S = 659 ± 79 kJ mol -1 and Q GB = 478 ± 63 kJ mol -1 .

36 MATERIALS SCIENCE↗
DOE OSTI2022

Transformation of a ceramic precursor to a biomedical (metallic) alloy: Part I – sinterability of Ta 2 O 5 and TiO 2 mixed oxides

Mixed Ta 2 O 5 – TiO 2 binary system was studied by a combination of differential thermal analysis (DTA), scanning electron microscopy-energy dispersive spectrometry (SEM-EDS), X-ray diffraction (XRD) and in situ high temperature X-ray diffraction (HT-XRD) techniques. Different compositions of the mixed oxide powders were fabricated by ball–milling the powdered compositions, pelletizing the homogenized composite powders, and heating the green pellets in air at different temperatures for fixed time intervals. The sintered pellets were evaluated and characterized with respect to porosity, morphology, and phase distribution. DTA runs of the un-sintered powders indicated the onset temperatures for both exothermic and endothermic changes in the binary system. Significant amount of sintering was observed to take place at temperatures higher than 900 °C. Both room and high temperature X-ray diffraction patterns exhibited consistency in phase formation. A ternary compound (TaTiO 4 ) and a ternary solid solution (Ti 0.33 Ta 0.67 O 2 ) were observed to form in both room and high temperatures in addition to the respective binary phases (Ta 2 O 5 and TiO 2 ). A sintering temperature in the range 900–1000 °C was observed to be adequate to achieve the requisite mechanical strength and optimum internal porosity (40–48%) for subsequent electrochemical polarization experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Coexistence of Magnetoelectric and Antiferroelectric-like Orders in Mn 3 Ta 2 O 8

We report in materials showing a linear magnetoelectric (ME) effect, unconventional functionalities can be anticipated such as electric control of magnetism and nonreciprocal optical responses. Thus, the search for new linear ME materials is of interest in materials science. In this study, using a recently proposed design principle of linear ME materials, which is based on the combination of local structural asymmetry and collinear antiferromagnetism, we demonstrate that an anion-deficient fluorite derivative, Mn 3 Ta 2 O 8 , is a new linear ME material. This is evidenced by the onset of magnetic-field-induced electric polarization in its collinear antiferromagnetic phase below T N = 24 K. Furthermore, we also find an antiferroelectric-like phase transition at T S = 55 K, which is attributable to an off-center displacement of magnetic Mn 2+ ions. The present study shows that Mn 3 Ta 2 O 8 is a rare material that exhibits both ME and antiferroelectric-like transitions. Thus, Mn 3 Ta 2 O 8 may provide an opportunity to investigate the physics associated with complicated interactions between magnetic (spin) and electric dipole degrees of freedom.

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

Origin of the enhanced Nb3Sn performance by combined Hf and Ta doping

Abstract In recent years there has been an increasing effort in improving the performance of Nb 3 Sn for high-field applications, in particular for the fabrication of conductors suitable for the realization of the Future Circular Collider (FCC) at CERN. This challenging task has led to the investigation of new routes to advance the high-field pinning properties, the irreversibility and the upper critical fields ( H Irr and H c2 , respectively). The effect of hafnium addition to the standard Nb-4Ta alloy has been recently demonstrated to be particularly promising and, in this paper, we investigate the origins of the observed improvements of the superconducting properties. Electron microscopy, Extended X-ray Absorption Fine Structure Spectroscopy (EXAFS) and Atom Probe Tomography (APT) characterization clearly show that, in presence of oxygen, both fine Nb 3 Sn grains and HfO 2 nanoparticles form. Although EXAFS is unable to detect significant amounts of Hf in the A15 structure, APT does indeed reveal some residual intragrain metallic Hf. To investigate the layer properties in more detail, we created a microbridge from a thin lamella extracted by Focused Ion Beam (FIB) and measured the transport properties of Ta-Hf-doped Nb 3 Sn. H c2 (0) is enhanced to 30.8 T by the introduction of Hf, ~ 1 T higher than those of only Ta-doped Nb 3 Sn, and, even more importantly the position of the pinning force maximum exceeds 6 T, against the typical ~ 4.5–4.7 T of the only Ta-doped material. These results show that the improvements generated by Hf addition can significantly enhance the high-field performance, bringing Nb 3 Sn closer to the requirements necessary for FCC realization.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Prediction of the structures and heats of formation of MO 2 , MO 3 , and M 2 O 5 for M = V, Nb, Ta, Pa

Structures for the mono-, di-, and tri-bridge isomers of M 2 O 5 as well as those for the MO 2 and MO 3 fragments for M = V, Nb, Ta, and Pa were optimized at the density functional theory (DFT) level. Single point CCSD(T) calculations extrapolated to the complete basis set (CBS) limit at the DFT geometries were used to predict the energetics. Here, the lowest energy dimer isomer was the di-bridge for M = V and Nb and the tri-bridge for M = Ta and Pa. The di-bridge isomers were predicted to be composed of MO 2 + and MO 3 - fragments, whereas the mono- and tri-bridge are two MO 2 + fragments linked by an O 2 - . The heats of formation of M 2 O 5 dimers, as well as MO 2 and MO 3 neutral and ionic species were predicted using the Feller–Peterson–Dixon (FPD) approach. The heats of formation of the MF 5 species were calculated to provide additional benchmarks. Dimerization energies to form the M 2 O 5 dimers are predicted to become more negative going down group 5 and range from -29 to -45 kcal mol -1 . The ionization energies (IEs) for VO 2 and TaO 2 are essentially the same at 8.75 eV whereas the IEs for NbO 2 and PaO 2 are 8.10 and 6.25 eV, respectively. The predicted adiabatic electron affinities (AEAs) range from 3.75 eV to 4.45 eV for the MO 3 species and vertical detachment energies from 4.21 to 4.59 eV for MO 3 - . The calculated M[double bond, length as m-dash]O bond dissociation energies increase from 143 kcal mol -1 for M = V to ~170 kcal mol -1 for M = Nb and Ta to ~200 kcal mol -1 for M = Pa. The M–O bond dissociation energies are all similar ranging from 97 to 107 kcal mol -1 . Natural bond analysis provided insights into the types of chemical bonds in terms of their ionic character. Pa 2 O 5 is predicted to behave like an actinyl species dominated by the interactions of approximately linear PaO 2 + groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Structure and phase transitions in niobium and tantalum derived nanoscale transition metal perovskites, Ba(Ti,MV)O3, M=Nb,Ta

The prospect of creating ferroelectric or high permittivity nanomaterials provides motivation for investigating complex transition metal oxides of the form Ba(Ti, MV)O3, where M = Nb or Ta. Solid state processing typically produces mixtures of crystalline phases, rarely beyond minimally doped Nb/Ta. Using a modified sol-gel method, we prepared single phase nanocrystals of Ba(Ti, M)O3. Compositional and elemental analysis puts the empirical formulas close to BaTi0.5Nb0.5O3−δ and BaTi0.5Ta0.5O3−δ. For both materials, a reversible temperature dependent phase transition (non-centrosymmetric to symmetric) is observed in the Raman spectrum in the region 533–583 K (260–310 °C); for Ba(Ti, Nb)O3, the onset is at 543 K (270 °C); and for Ba(Ti, Ta)O3, the onset is at 533 K (260 °C), which are comparable with 390–393 K (117–120 °C) for bulk BaTiO3. The crystal structure was resolved by examination of the powder x-ray diffraction and atomic pair distribution function (PDF) analysis of synchrotron total scattering data. It was postulated whether the structure adopted at the nanoscale was single or double perovskite. Double perovskites (A2B′B″O6) are characterized by the type and extent of cation ordering, which gives rise to higher symmetry crystal structures. PDF analysis was used to examine all likely candidate structures and to look for evidence of higher symmetry. The feasible phase space that evolves includes the ordered double perovskite structure Ba2(Ti, MV)O6 (M = Nb, Ta) Fm-3m, a disordered cubic structure, as a suitable high temperature analog, Ba(Ti, MV)O3Pm-3m, and an orthorhombic Ba(Ti, MV)O3Amm2, a room temperature structure that presents an unusually high level of lattice displacement, possibly due to octahedral tilting, and indication of a highly polarized crystal.

Chemistry↗
DOE OSTI2026

Anomalous lattice expansion of bcc Ta in helium-loaded diamond anvil cells

Anomalous lattice expansion of bcc Ta is observed in helium-loaded diamond anvil cell (DAC) experiments near 6 GPa and above 400 K, while co-loaded W, Mo, and Au exhibit normal thermal expansion. The Ta volume expansion increases with temperature, reaching ~14% near 650 K before plateauing, and is largely retained after recovery to ambient conditions. Time-resolved measurements at 500 K reveal progressive expansion over several hours, consistent with gradual, thermally activated He incorporation. The largely retained expansion during subsequent cooling and holding at 400 K indicates that the incorporated He is predominantly kinetically trapped. The data reveal two distinct regimes: below ~550 K, modest and spatially uniform expansion consistent with interstitial He trapping at isolated, randomly distributed vacancies; above ~550 K, He-vacancy cluster growth producing dramatically larger expansion, peak broadening, and a core–shell microstructure revealed by micron-resolution X-ray diffraction mapping. These results demonstrate that He is not always a passive pressure medium in DAC experiments and reveal a previously unrecognized regime of He-mediated lattice modification in Ta, complementing conventional ion-implantation studies relevant to nuclear and fusion structural materials.

Diamond anvil cell↗
DOE OSTI2020

Noncollinear antiferromagnetic order in the buckled honeycomb lattice of magnetoelectric Co 4 Ta 2 O 9 determined by single-crystal neutron diffraction

Co 4 Ta 2 O 9 exhibits a three-dimensional magnetic lattice based on the buckled honeycomb motif. It shows unusual magnetoelectric effects, including the sign change and nonlinearity. These effects cannot be understood without the detailed knowledge of the magnetic structure. Herein, we report neutron diffraction and direction-dependent magnetic susceptibility measurements on Co 4 Ta 2 O 9 single crystals. In this work, below 20.3 K, we find a long-range antiferromagnetic order in the alternating buckled and flat honeycomb layers of Co 2+ ions stacked along the c axis. Within experimental accuracy, the magnetic moments lie in the ab plane. They form a canted antiferromagnetic structure with a tilt angle of ~14° at 15 K in the buckled layers, while the magnetic moments in each flat layer are collinear. This is directly evidenced by a finite (0, 0, 3) magnetic Bragg peak intensity, which would be absent in the collinear magnetic order. The magnetic space group is C2/c'. It is different from the previously reported C2/c' group, also found in the isostructural Co 4 Nb 2 O 9 . The revised magnetic structure successfully explains the major features of the magnetoelectric tensor of Co 4 Ta 2 O 9 within the framework of the spin-flop model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Higher-order topological and nodal superconducting transition-metal sulfides M S ( M = Nb and Ta )

Intrinsic topological superconducting materials are exotic and vital to develop the next-generation topological superconducting devices, topological quantum calculations, and quantum information technologies. Here, we predict the topological and nodal superconductivity of NiAs-type M ⁢S ( M = Nb and Ta) transition-metal sulfides. We reveal their higher-order topology nature with an index of Z 4 = 2. These materials have a higher T c than the Nb or Ta metal superconductors due to their flat band and strong electron-phonon coupling nature. Electron doping and lighter isotopes can effectively enhance the T c . In conclusion, our findings show that the M ⁢S ( M = Nb and Ta) systems can be platforms to study exotic physics in the higher-order topological superconductors, and provide a theoretical support to utilize them as the topological superconducting devices in the field of advanced topological quantum calculations and information technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Search for Dark Matter Induced Deexcitation of 180 Ta m

Weak-scale dark matter particles, in collisions with nuclei, can mediate transitions between different nuclear energy levels. In particular, owing to sizeable momentum exchange, dark matter particles can enable de-excitation of nuclear isomers that are extremely long lived with respect to regular radioactive decays. In this paper, we utilize data from a past experiment with 180 Ta m to search for γ-lines that would accompany dark matter induced de-excitation of this isomer. Non-observation of such transitions above background yields the first direct constraint on the lifetime of 180 Ta m against DM-initiated transitions: T 1/2 > 1.3 × 10 14 a at 90% C.I. Using this result, we derive novel constraints on dark matter models with strongly interacting relics, and on models with inelastic dark matter particles. Existing constraints are strengthened by this independent new method. As a result, the obtained limits are also valid for the Standard Model γ-decay of 180 Ta m .

150 ≤ A ≤ 189↗