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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Fractional magnetoresistance oscillations in spin-triplet superconducting rings

Abstract Half-quantum vortices in spin-triplet superconductors are predicted to host Majorana zero modes and may provide a viable platform for topological quantum computation. Recent works also suggested that, in thin mesoscopic rings, the superconducting pairing symmetry can be probed via Little-Parks-like magnetoresistance oscillations of periodicity Φ 0 = h /2 e that persist below the critical temperature. Here we use the London limit of Ginzburg-Landau theory to study these magnetoresistance oscillations resulting from thermal vortex tunneling in spin-triplet superconducting rings. For a range of temperatures in the presence of disorder, we find magnetoresistance oscillations with an emergent fractional periodicity Φ 0 / n , where the integer n ≥ 3 is entirely determined by the ratio of the spin and charge superfluid densities. These fractional oscillations can unambiguously confirm the spin-triplet nature of superconductivity and directly reveal the tunneling of half-quantum vortices in real-world candidate materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Insights into hyperbolic phonon polaritons in h – BN using Raman scattering from encapsulated transition metal dichalcogenide layers

Alternative techniques for probing hyperbolic phonon polaritons (HPPs) in two-dimensional materials will support the development of the emerging technologies in this field. Previous reports have shown that it is possible for W Se 2 monolayers in contact with the hexagonal boron nitride (h– BN) to generate HPPs in the h– BN via Raman scattering. In this paper, we set out our results on HPP Raman scattering induced in h– BN by W Se 2 and Mo Se 2 monolayers including multiple resonances at which the Raman scattering is enhanced. Analysis of the observed Raman line shapes demonstrates that Raman scattering allows HPPs with wave vectors with magnitudes significantly in excess of 15 000 cm –1 to be probed. Finally, we present evidence that the Raman scattering can probe HPPs with frequencies less than the expected lower bound on the reststrahlen band, suggesting new HPP physics still waits to be discovered.

2-dimensional systems↗
DOE OSTI2021

Long lifetime of bialkali photocathodes operating in high gradient superconducting radio frequency gun

Abstract High brightness, high charge electron beams are critical for a number of advanced accelerator applications. The initial emittance of the electron beam, which is determined by the mean transverse energy (MTE) and laser spot size, is one of the most important parameters determining the beam quality. The bialkali photocathodes illuminated by a visible laser have the advantages of high quantum efficiency (QE) and low MTE. Furthermore, Superconducting Radio Frequency (SRF) guns can operate in the continuous wave (CW) mode at high accelerating gradients, e.g. with significant reduction of the laser spot size at the photocathode. Combining the bialkali photocathode with the SRF gun enables generation of high charge, high brightness, and possibly high average current electron beams. However, integrating the high QE semiconductor photocathode into the SRF guns has been challenging. In this article, we report on the development of bialkali photocathodes for successful operation in the SRF gun with months-long lifetime while delivering CW beams with nano-coulomb charge per bunch. This achievement opens a new era for high charge, high brightness CW electron beams.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Charged skyrmions and topological origin of superconductivity in magic-angle graphene

Topological solitons, a class of stable nonlinear excitations, appear in diverse domains as in the Skyrme model of nuclear forces. Here, we argue that similar excitations play an important role in a remarkable material obtained on stacking and twisting two sheets of graphene. Close to a magic twist angle, insulating behavior is observed, which gives way to superconductivity on doping. Here, we propose a unifying description of both observations. A symmetry breaking condensate leads to the ordered insulator, while topological solitons in the condensate—skyrmions—are shown to be charge 2 e bosons. Condensation of skyrmions leads to a superconductor, whose physical properties we calculate. More generally, we show how topological textures can mitigate Coulomb repulsion and provide a previously unexplored route to superconductivity. Our mechanism not only clarifies why several other moiré materials do not show superconductivity but also points to unexplored platforms where robust superconductivity is anticipated.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Neutron scattering off Weyl semimetals

We present how to detect type-I Weyl nodes in a material by inelastic neutron scattering. Such an experiment first of all allows one to determine the dispersion of the Weyl fermions. We extend the reasoning to produce a quantitative test of the Weyl equation, taking into account realistic anisotropic properties. These anisotropies are mostly contained in the form of the emergent magnetic moment of the excitations, which determines how they couple to the neutrons. Although there are many material parameters, we find several quantitative predictions that are universal and demonstrate that the excitations are described by solutions to the Weyl equation. The anisotropic coupling between electrons and neutrons implies that even fully unpolarized neutrons can reveal the spin-momentum locking of the Weyl fermions because the neutrons will couple to some components of the Weyl fermion pseudospin more strongly. On the other hand, in an experiment with polarized neutrons, the scattered neutron beam remains fully polarized in a direction that varies as a function of momentum transfer (within the range of validity of the Weyl equation). This allows measurement of the chirality of Weyl fermions for inversion-symmetric nodes. Furthermore, in this work we estimate that the scattering rate may be large enough for such experiments to be practical; in particular, the magnetic moment may be larger than the ordinary Bohr magneton, compensating for a small density of states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Data Science Enabled Enabled Discovery of Superconductors (Final Progress Report)

This Final Technical Report describes efforts by 4 PIs at the University of Florida (Peter Hirschfeld, Richard Hennig, Greg Stewart and James Hamlin), over the period September 2019-August 2023, to use data science and machine learning techniques to discover new conventional superconductors. The PIs constructed a discovery loop with two theorists and two experimentalists to: develop algorithms to machine learn descriptors correlating strongly with the critical temperature Tc (PI's Peter Hirschfeld, UF Physics and Richard Hennig, UF Materials Science and En), synthesize and measure properties of promising materials, and feed back the knowledge gained into the prediction algorithm. This work was motivated by the theoretical prediction and experimental discovery of high-pressure, high-pressure hydride superconductors, and to find ways to recreate the high critical temperatures in these systems at ambient pressure. Highlights from the grant include: 1) a new equation for Tc in terms of moments of the electron-phonon spectral function, improving on the so-called Allen-Dynes equation (1975); 2) study of the metastable A15 superconductor Nb3Si, formed under explosive compression at ~1000GPa to determine the kinetic barrier to the ground state structure; 3) the development of ultra-fast machine-learned atomic potentials for molecular dynamics, and 4) the discovery of superconductivity at 19K in WB2 arising from metastable defect structures in the crystal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Unified bulk semiclassical theory for intrinsic thermal transport and magnetization currents

In this work, we reveal the unexpected role of the material inhomogeneity in unifying the formulation of intrinsic thermal and thermoelectric transport as well as magnetization currents. The smooth inhomogeneity leads to the position dependent local band dispersion and phase-space Berry curvature, enabling a general and rapid access to transport and magnetization currents displaying the momentum-space Berry curvature physics. Our theory does not invoke the boundary current, the thermodynamic approach to magnetization or any mechanical counterpart of statistical forces. By introducing a fictitious inhomogeneity, it applies to homogeneous samples as well, promoting the inhomogeneity to be a basic trick in semiclassical transport theories. Such a trick works regardless of the driving force of transport, e.g., temperature gradient, in contrast to the trick of fictitious gravitational field in quantum transport theories. We thus include more general mechanical driving forces and establish the Mott relation between the resulting transport thermal and electric currents, whereas this relation for these two currents was previously only known when an electric field is the driving force.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Direct Visualization of Current-Stimulated Oxygen Migration in YBa 2 Cu 3 O 7–δ Thin Films

The past years have witnessed major advancements in all-electrical doping control on cuprates. In the vast majority of cases, the tuning of charge carrier density has been achieved via electric field effect by means of either a ferroelectric polarization or using a dielectric or electrolyte gating. Unfortunately, these approaches are constrained to rather thin superconducting layers and require large electric fields in order to ensure sizable carrier modulations. In this work, we focus on the investigation of oxygen doping in an extended region through current-stimulated oxygen migration in YBa 2 Cu 3 O 7–δ superconducting bridges. The underlying methodology is rather simple and avoids sophisticated nanofabrication process steps and complex electronics. Here, a patterned multiterminal transport bridge configuration allows us to electrically assess the directional counterflow of oxygen atoms and vacancies. Importantly, the emerging propagating front of current-dependent doping δ is probed in situ by optical microscopy and scanning electron microscopy. The resulting imaging techniques, together with photoinduced conductivity and Raman scattering investigations, reveal an inhomogeneous oxygen vacancy distribution with a controllable propagation speed permitting us to estimate the oxygen diffusivity. These findings provide direct evidence that the microscopic mechanism at play in electrical doping of cuprates involves diffusion of oxygen atoms with the applied current. The resulting fine control of the oxygen content would permit a systematic study of complex phase diagrams and the design of electrically addressable devices.

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

Photoinduced evolution of lattice orthorhombicity and conceivably enhanced ferromagnetism in LaMnO 3 membranes

Ultrashort laser pulses have been utilized to dynamically drive phase transitions in correlated quantum materials. Of particular interest is whether phases not achievable in thermal equilibrium can be induced in complex oxides with intricately coupled lattice, electron and spin degrees of freedom. Here, we tracked atomic motions in LaMnO 3 following photoexcitation with MeV ultrafast electron diffraction (MeV-UED) technique. We found that the light excited state exhibits numerous signatures different from thermal equilibrium ones, including nearly conserved Bragg intensities, strongly suppressed La cation and oxygen anion displacements, and the long-range lattice orthorhombicity evolution. Furthermore, using first-principles calculations, we predict that the ferromagnetic ordering and conductivity are both enhanced upon laser excitation due to the reduction of the lattice orthorhombicity. This work benefits from recent advance in fabrication of membrane films with high epitaxial quality and in MeV-UED with large momentum space access and high temporal resolution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Magnetotransport properties of the topological nodal-line semimetal CaCdSn

Topological nodal-line semimetals support protected band crossings, which form nodal lines or nodal loops between the valence and conduction bands and exhibit novel transport phenomena. Here we address the topological state of the nodal-line semimetal candidate material CaCdSn, and report magnetotransport properties of its single crystals grown by the self-flux method. In this work, our first-principles calculations show that the electronic structure of CaCdSn harbors a single nodal loop around the Γ point in the absence of spin-orbit coupling effects. The nodal crossings in CaCdSn are found to lie above the Fermi level and yield a Fermi surface that consists of both electron and hole pockets. CaCdSn exhibits high mobility (μ ≈ 3.44 × 10 4 cm 2 V –1 s –1 ) and displays a field-induced metal-semiconductor-like crossover with a plateau in resistivity at low temperature. We observe an extremely large and quasilinear nonsaturating transverse as well as longitudinal magnetoresistance (MR) at low temperatures (≈ 7.44 × 10 3 % and ≈ 1.71 × 10 3 %, respectively, at 4 K). We also briefly discuss possible reasons behind such a large quasilinear magnetoresistance and its connection with the nontrivial band structure of CaCdSn.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Micrometre-scale single-crystalline borophene on a square-lattice Cu(100) surface

Borophene, a crystalline monolayer boron sheet, is a new two-dimensional (2D) quantum material, predicted to feature tunable structure, intriguing physics and to find applications in flexible electronics, energy storage and catalysis. Nanoscale borophene flakes have been synthesized on noble-metal surfaces, but for device fabrication, one needs large single-crystal domains. In this work, we report the synthesis of borophene on a square lattice Cu(100) surface and show that incommensurate coordinations could reduce the borophene-substrate interactions and alter the borophene structures in interesting ways. Micrometer-scale single-crystal domains can form as isolated faceted islands or merge together to achieve full monolayer coverage. We have discovered a new crystal structure of borophene, with ten boron atoms and two hexagonal vacancies in the unit cell. First-principle calculations indicate that charge transfer rather than covalent bonding binds 2D boron to the copper surface, and confirm its integrity and uniformity The electronic band structure features multiple anisotropic tilted Dirac cones, heralding emergent quantum fermions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Fabrication Development for SPT-SLIM, a Superconducting Spectrometer for Line Intensity Mapping

Line Intensity Mapping (LIM) is a new observational technique that uses low-resolution observations of line emission to efficiently trace the large-scale structure of the Universe out to high redshift. Common mm/sub-mm emission lines are accessible from ground-based observatories, and the requirements on the detectors for LIM at mm-wavelengths are well matched to the capabilities of large-format arrays of superconducting sensors. We describe the development of an R = lambda/Delta lambda = 300 on-chip superconducting filter-bank spectrometer covering the 120-180 GHz band for future mm-LIM experiments, focusing on SPT-SLIM, a pathfinder LIM instrument for the South Pole Telescope. Radiation is coupled from the telescope optical system to the spectrometer chip via an array of feedhorn-coupled orthomode transducers. Superconducting microstrip transmission lines then carry the signal to an array of channelizing half-wavelength resonators, and the output of each spectral channel is sensed by a lumped element kinetic inductance detector (leKID). Key areas of development include incorporating new low-loss dielectrics to improve both the achievable spectral resolution and optical efficiency and development of a robust fabrication process to create a galvanic connection between ultra-pure superconducting thin-films to realize multi-material (hybrid) leKIDs. We provide an overview of the spectrometer design, fabrication process, and prototype devices.

microstrip resonators↗
DOE OSTI2023

Visualizing heterogeneous dipole fields by terahertz light coupling in individual nano-junctions

The challenge underlying superconducting quantum computing is to remove materials bottleneck for highly coherent quantum devices. The nonuniformity and complex structural components in the underlying quantum circuits often lead to local electric field concentration, charge scattering, dissipation and ultimately decoherence. Here we visualize interface dipole heterogeneous distribution of individual Al/AlO$_{x}$/Al junctions employed in transmon qubits by broadband terahertz scanning near-field microscopy that enables the non-destructive and contactless identification of defective boundaries in nano-junctions at an extremely precise nanoscale level. Our THz nano-imaging tool reveals an asymmetry across the junction in electromagnetic wave-junction coupling response that manifests as hot (high intensity) vs cold (low intensity) spots in the spatial electrical field structures and correlates with defected boundaries from the multi-angle deposition processes in Josephson junction fabrication inside qubit devices. The demonstrated local electromagnetic scattering method offers high sensitivity, allowing for reliable device defect detection in the pursuit of improved quantum circuit fabrication for ultimately optimizing coherence times.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Potential for exciton condensation in a highly conductive amorphous polymer

An outstanding challenge in synthesis and theory is to develop molecular materials at ambient conditions that exhibit highly efficient energy transfer. Here, in this study, we demonstrate the potential of a recently synthesized, highly conductive amorphous material—a nickel tetrathiafulvalene-tetrathiolate (NiTTFtt) polymer—to become an exciton condensate—a Bose-Einstein condensate of particle-hole pairs, known as excitons, that supports dissipationless flow of excitation energy. While exciton condensates have recently been realized in ordered materials, we show by advanced electronic structure calculations that this highly correlated phenomenon can potentially be realized in molecularly tailored, amorphous materials. In contrast to the Bechgaard salts that support superconductivity at compressed geometries requiring high pressures, we show that the recently synthesized, amorphous NiTTFtt polymer exhibits the computational signature of exciton condensation at experimentally realizable geometries, occurring at ambient pressures. Results suggest that superfluidity in this system and related systems—including van der Waals structures, molecular metals with extended-TTF dithiolate ligands, and Bechgaard salts—may occur via a nontraditional excitonic mechanism tuneable according to system composition, geometry, size, and charge. This study prompts further experimental investigation of the rational design of molecularly scaled exciton condensates with potential applications to efficient transport in technologically relevant materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Phonon-assisted optical absorption of SiC polytypes from first principles

Silicon carbide (SiC) is an indirect-gap semiconductor material widely used in electronic and optoelectronic applications. While experimental measurements of the phonon-assisted absorption coefficient of SiC across its indirect gap have existed for more than 50 years, theoretical investigations of phonon-assisted absorption have been hampered by their excessive computational cost. Here, in this work, we calculate the phonon-assisted temperature-dependent optical absorption spectra of the commonly occurring SiC polytypes (3C, 2H, 4H, 6H, and 15R), using first-principles approaches based on density functional theory and related techniques. We show that our results agree with experimentally determined absorption coefficients in the spectral region between the direct and indirect band gaps. The temperature dependence of the spectra can be well predicted with taking the temperature dependence of the band gaps into account. Lastly, we compare the spectra obtained with second-order perturbation theory to those determined by the special displacement method and we show that the full consideration of the electronic energy renormalization due to temperature is important to further improve the prediction of the phonon-assisted absorption in SiC. Our insights can be applied to predict the optical spectra of the less common SiC polytypes and other indirect-gap semiconductors in general.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Computation of high-frequency magnetoelastic waves in layered materials

Here, the direct calculation of magnetoelastic wave dispersion in layered media is presented using an efficient, accurate computational technique. The governing, coupled equations for elasticity and magnetism, the Navier and Landau-Lifshitz equations, respectively, are linearized to form a quadratic eigenvalue problem that determines a complex web of wave-number–frequency dispersion branches and their corresponding mode profiles. Numerical discretization of the eigenvalue problem via a spectral collocation method (SCM) is employed to determine the complete dispersion maps for both a single, finite-thickness magnetic layer and a finite magnetic-nonmagnetic double-layer. The SCM, previously used to study elastic waves in nonmagnetic media, is fast, accurate, and adaptable to a variety of sample configurations and geometries. Emphasis is placed on the extremely high-frequency regimes being accessed in ultrafast magnetism experiments. The dispersion maps and modes provide insight into how energy propagates through the coupled system, including how energy can be transferred between elastic- and magnetic-dominated waves as well as between different layers. The numerical computations for a single layer are further understood by a simplified analytical calculation in the high-frequency, exchange-dominated regime where the resonance condition required for energy exchange (an anticrossing) between quasi-elastic and quasi-magnetic dispersion branches is determined. Nonresonant interactions are shown to be well approximated by the dispersion of uncoupled elastic and magnetic waves. The methods and results provide fundamental theoretical tools to model and understand current and future magnetic devices powering spintronic innovation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film

An approach is described for studying texture in nanostructured materials. The approach implements the real-space texture pair distribution function (PDF), txPDF, laid out by Gong & Billinge {(2018). arXiv:1805.10342 [cond-mat]}. It is demonstrated on a fiber-textured polycrystalline Pt thin film. The approach uses 3D PDF methods to reconstruct the orientation distribution function of the powder crystallites from a set of diffraction patterns, taken at different tilt angles of the substrate with respect to the incident beam, directly from the 3D PDF of the sample. A real-space equivalent of the reciprocal-space pole figure is defined in terms of interatomic vectors in the PDF and computed for various interatomic vectors in the Pt film. Furthermore, it is shown how a valid isotropic PDF may be obtained from a weighted average over the tilt series, including the measurement conditions for the best approximant to the isotropic PDF from a single exposure, which for the case of the fiber-textured film was in a nearly grazing incidence orientation of ∼10°. Finally, an open-source Python software package, FouriGUI , is described that may be used to help in studies of texture from 3D reciprocal-space data, and indeed for Fourier transforming and visualizing 3D PDF data in general.

3D pair distribution functions↗
DOE OSTI2023

Rapid Cryogenic Electrical Characterization of Materials and Devices Using Gifford-McMahon Cryocoolers

Thin-film heterostructures are necessary building blocks for superconducting and phononic quantum computing devices. Many new generations of quantum hardware demand extensive materials research to optimize performances at cryogenic temperatures (below 10 K). Here, we demonstrate compact cryogenic measurement systems capable of reaching sub-10K temperatures in less than three hours with the ability to measure AC/DC resistance and dielectric properties of thin-film materials. Our platform utilizes Gifford-McMahon (GM) cryocoolers as effective tools for providing high throughput cooling-warming cycles. We successfully used the GM-based measurement systems to measure 1) the superconducting transition temperature for Nb thin films (T c ~7.8 K), and 2) the temperature dependence of the dielectric constant in SiO 2 thin films down to 10 K. The fast electrical characterization feedback will be critical in developing robust materials and components for cryogenic computing devices.

36 MATERIALS SCIENCE↗