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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Atomic-layer engineering of nickelates (in search of novel superconductors)

Karl Alex Mueller's intuition was that the nature of mobile charge carriers in manganates and nickelates should be like those in cuprates, which he believed were Jahn-Teller polarons, so he expected them to also host high-temperature superconductivity (HTS). Following his suggestions and persuasion, in the past, we performed several experiments that included atomic-layer-by-layer synthesis of novel, metastable manganates and nickelates. Despite our efforts and several USO sightings, here we failed to find any reproducible superconductivity and dropped the project fifteen years ago. Our results are presented here, for the first time - timely, since HTS was very recently discovered in nickelates (under pressure). So, whether his opinions were on the mark or not, Alex did guess it right - again.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Theory of Novel Superconductors (Final Technical Report)

This Final Technical Report gives the results of a series of problems related to the origin of superconductivity, the quantum mechanical state of matter where electrical resistance vanishes, in several classes of new materials where the conventional mechanism that binds electrons into pairs based on the electron-phonon interaction apparently fails. In several families of quantum materials including cuprates, iron-based superconductors, and heavy fermion materials, it is believed that the repulsive Coulomb interaction between electrons can create effective attractive interactions, generally in higher pair momentum channels. These "unconventional" superconductors include materials with the highest critical temperatures at ambient pressure known, so it is imperative to understand how superconductivity arises to guide the search for materials that superconduct at or near room temperature, which would have enormous technological impact. A second objective has been to construct a theory that can quantitatively explain the properties of existing materials, based on information from first-principles electronic structure calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Tunneling Spectroscopy at Megabar Pressures: Determination of the Superconducting Gap in Sulfur

The recent discovery of high-temperature, high-pressure superconductors, such as hydrides and nickelates, has opened exciting avenues in studying high-temperature superconductivity. The primary superconducting properties of these materials are well characterized by measuring various electrical and magnetic properties, despite the challenges posed by the high-pressure environment. Experimental microscopic insight into the pairing mechanism of these superconductors is even more challenging, due to the lack of direct probes of the superconducting gap structures at high pressure conditions. Here, we have developed a planar tunnel junction technique for diamond anvil cells and present ground-breaking tunneling spectroscopy measurements at megabar pressures. We determined the superconducting gap of elemental sulfur at 160 GPa, a key constituent of the high-temperature superconductor H 3 S . High quality tunneling spectra indicate that β -Po phase sulfur is a type II superconductor with a single s -wave gap with a gap value 2 Δ ( 0 ) = 5.6 meV . This technique is compatible with superconducting compounds synthesized in diamond anvil cells and provides insight into the pairing mechanism in novel superconductors under high-pressure conditions. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗
NASA NTRS1988

RF surface resistance of YBa2Cu3O(7-x) thin films

The excitement engendered by the discovery of the new T sub c oxide superconductors has led to much speculation about practical applications of thin films of these materials in digital and analog electronic devices. Most of these envisioned applications involve high frequency signals for which a detailed knowledge of the surface impedance of the novel superconductors is very important. We have measured the surface resistance of thin films of YBaCuO in the frequency range 0.5 less than f less than 17 GHz using a stripline-resonator method. The stripline procedure also was used to measure the surface resistance of high quality gold and aluminum films; the resistance values obtained agree with values predicted from the measured dc resistance using the Pippard formalism for the anomalous skin effect. The YBaCuO were produced by a multilayer deposition process. The films are formed by e-beam evaporation of 24 layers of Y, Ba, and Cu. Films with the highest transition temperature were obtained using yttria-stabilized zirconia (YSZ) substrates. After deposition, the films are transferred to a furnace where they are annealed in flowing O2 at 850 C for 2h. The furnace then is turned off and allowed to cool to 100 C in about 16 h. Auger profiling of the films made by this process shows that the concentrations of Y, Ba, Cu, and O are uniform to within 1 percent throughout the thickness of the film.

Source record↗
DOE OSTI2024

Towards revealing intrinsic vortex-core states in Fe-based superconductors through statistical discovery

Abstract In type-II superconductors, electronic states within magnetic vortices hold crucial information about the paring mechanism and can reveal non-trivial topology. While scanning tunneling microscopy/spectroscopy (STM/S) is a powerful tool for imaging superconducting vortices, it is challenging to isolate the intrinsic electronic properties from extrinsic effects like subsurface defects and disorders. Here we combine STM/STS with basic machine learning to develop a method for screening out the vortices pinned by embedded disorder in iron-based superconductors. Through a principal component analysis of large STS data within vortices, we find that the vortex-core states in Ba(Fe 0.96 Ni 0.04 ) 2 As 2 start to split into two categories at certain magnetic field strengths, reflecting vortices with and without pinning by subsurface defects or disorders. Our machine-learning analysis provides an unbiased approach to reveal intrinsic vortex-core states in novel superconductors and shed light on ongoing puzzles in the possible emergence of a Majorana zero mode.

Guo, Yueming↗
DOE OSTI2021

Local Distortions and Metal–Semiconductor–Metal Transition in Quasi-One-Dimensional Nanowire Compounds AV 3 Q 3 O δ (A = K, Rb, Cs and Q = Se, Te)

Metal cluster compounds have garnered renewed interest in the search for novel superconductors and topological semimetals owing to structural instabilities of metal-cluster geometries and broken symmetries. Here we synthesized needle-like crystals of the V-cluster-based quasi-one-dimensional (Q1D) materials AV 3 Q 3 O δ (A = K, Rb, Cs, Q= Se, Te) which can also be viewed as being composed of parallel nanowires. We examine how changes in their average and local structure control their electronic properties. All compounds crystallize in the TIFe 3 Te 3 -type structure (P6 3 /m space group) with infinite (V 3 )Q 3 ) - double-walled columnar chains separated by A + cations. Our single-crystal and synchrotron powder diffraction studies indicate oxygen atoms partially occupy the center site of the V 6 octahedral metal cluster cages in KV 3 Te 3 O 0.33 , RbV 3 Te 3 O 0.32 , and CsV 3 Te 3 O 0.35 , whereas KV 3 Se 3 is structurally oxygen-free. Our synchrotron X-ray pair distribution function (PDF) analyses indicate that the oxygen-free V 6 cluster octahedra in KV 3 Se 3 are highly distorted perpendicular to the chain direction even at room temperature, reducing the symmetry of the average structure from hexagonal P6 3 /m to monoclinic P2 1 /m. Our theoretical calculation supports this P2 1 /m distortion and suggests the structure further distorts to P2 1 or P2 1 /c at lower temperatures. In contrast, the oxygen-centered V-cluster in KV 3 Te 3 O 0.33 exhibits a V-3-triangle-trimerization along the chain direction. This feature is discernible from the local PDF and is consistent with lattice dynamical calculations based on density functional theory. Resistivity measurements indicate that KV 3 Se 3 exhibits metallic behavior, whereas a dramatic metal-semiconductor-metal transition emerges in KV 3 Te 3 O 6.33 , RbV 3 Te 3 O 0.32 , and CsV 3 Te 3 O 0.35 because of oxygen disorder and changes in local structure captured from our electronic structure analyses of the Fermi surface. Our investigation of the AV 3 Q 3 O 6 family demonstrates the importance of understanding local changes in structure driven by electronic instabilities, which can guide the search for new quantum materials in other low-dimensional cluster-compound materials.

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

Deviatoric stress-induced metallization, layer reconstruction and collapse of van der Waals bonded zirconium disulfide

In contrast to two-dimensional (2D) monolayer materials, van der Waals layered transition metal dichalcogenides exhibit rich polymorphism, making them promising candidates for novel superconductor, topological insulators and electrochemical catalysts. Here, we highlight the role of hydrostatic pressure on the evolution of electronic and crystal structures of layered ZrS2. Under deviatoric stress, our electrical experiments demonstrate a semiconductor-to-metal transition above 30.2 GPa, while quasi-hydrostatic compression postponed the metallization to 38.9 GPa. Both X-ray diffraction and Raman results reveal structural phase transitions different from those under hydrostatic pressure. Under deviatoric stress, ZrS2 rearranges the original ZrS6 octahedra into ZrS8 cuboids at 5.5 GPa, in which the unique cuboids coordination of Zr atoms is thermodynamically metastable. The structure collapses to a partially disordered phase at 17.4 GPa. These complex phase transitions present the importance of deviatoric stress on the highly tunable electronic properties of ZrS2 with possible implications for optoelectronic devices.

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

Fluctuating Ru trimer precursor to a two-stage electronic transition in RuP

Superconductivity in binary ruthenium pnictides occurs proximal to and upon suppression of a non-magnetic ground state, preceded by a pseudogap phase associated with Fermi surface instability, and its critical temperature, T c , is maximized around the pseudogap quantum critical point. By analogy with isoelectronic iron based counterparts, antiferromagnetic fluctuations became ''usual suspects" as putative mediators of superconducting pairing. Here we report on a high temperature local symmetry breaking in RuP, nonsuperconducting parent of the maximum- T c branch of these novel superconductors, revealed by combined nanostructure-sensitive powder and single crystal X-ray total scattering analyses. Large local distortions of Ru chains associated with orbital-charge trimerization, further assembled into hexamers, exist above the two-stage electronic transition in RuP. In the pseudogap regime the precursors order with distortions retaining their strength, whereas they acquire spin-singlet characteristics which dramatically enhances the distortion as the nonmagnetic ground state establishes. The precursors enable the nonmagnetic ground state and presumed complex oligomerization, and the relevance of pseudogap fluctuations for superconductivity emerges as a distinct prospect. As a transition metal system in which partial d-manifold filling combined with high crystal symmetry promotes electronic instabilities, this represents a further example of local electronic precursors underpinning the macroscopic collective behavior of quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Electronic Structure, Spectroscopy and Correlation Effects in Novel Materials

This project was targeted on electronic structure, spectroscopic studies, and correlation effects in a variety of novel materials of great current interest. Spectroscopies resolved highly in momentum, energy or spatial dimensions are playing a key role in unraveling the nature of the ground state and excitation properties in wide classes of novel materials. The seminal insights thus obtained are of critical importance not only for answering some of the fundamental questions facing condensed matter physics and materials science today, but also for understanding and thus helping to design and develop new materials with desirable properties, which will continue to be the key to the survival of mankind and its energy needs as a technological society long into the future. However, spectroscopies do not provide a direct map of electronic states, but act as a very complex ‘filter’ or ‘mapping’ of the underlying spectrum. This connection between the electronic states and measured spectra—called the ‘matrix element effect’—is in general an extremely complex function of the phase space of the experiment (e.g. energy/polarization of photons in photoemission), presenting both a challenge and an opportunity. So motivated, this project pursued techniques for realistic treatment of electronic spectra of a wide variety of materials, which served as a prelude to formulating and implementing methodologies for making direct connection with various spectroscopies such as ARPES, STS/STM, and inelastic light scattering. Specific systems are topological materials, including 2D ultrathin films beyond graphene, novel superconductors, and nanocrystals, among others. Our goal was to exploit the strengths of various spectroscopies to piece together the most complete picture of electronic states in systems of current interest, enabling direct and sharpened confrontations with theoretical models, and also to help advance the reach of various spectroscopies.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Piezosuperconductivity: Novel effects in noncentrosymmetric superconductors

Here we study effects in noncentrosymmetric superconductors arising from their unique coupling of Cooper-pair condensate and elasticity. We show that although the much discussed Lifshitz coupling is not observable in a uniform bulk state, it strikingly endows dislocations with a fractional magnetic flux. We also predict a generation of voltage-free strain by a DC current in a P- and T-breaking Josephson junction. Viewing superconductors through the lens of higher-form symmetries we identify the Lifshitz coupling as a chemical potential for the approximately conserved winding number, drawing an analogy with pyroelectric insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Driven Majorana modes: A route to synthetic $p_x +ip_y$ superconductivity

We propose a protocol to realize synthetic $p_x +ip_y$ superconductors in one-dimensional topological systems that host Majorana fermions. By periodically driving a localized Majorana mode across the system, our protocol realizes a topological pumping of Majorana fermions, analogous to the adiabatic Thouless pumping of electrical charges. Importantly, similar to the realization of a Chern insulator through Thouless pumping, we show that pumping of Majorana zero modes could lead to a $p_x +ip_y$ superconductor in the two dimensions of space and synthetic time. The Floquet theory is employed to map the driven one-dimensional system to a two-dimensional synthetic system by considering frequency as a new dimension. We demonstrate such Floquet $p_x +ip_y$ superconductors using the Kitaev $p$-wave superconductor chain, a prototypical 1D topological system, as well as its more realistic realization in the 1D Kondo lattice model as examples. We further show the appearance of Majorana $π$ mode at the Floquet zone boundary in an intermediate drive frequency region. Our work suggests a driven magnetic spiral coupled to a superconductor as a promising platform for the realization of novel topological superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Methods for neutron diffraction studies on hydride superconductors and other metal hydrides

High-pressure neutron diffraction is an extremely useful technique in the quest for making and understanding novel hydride superconductors. Neutron diffraction can be used to directly determine elemental stoichiometries and atomic positions of many light elements such as hydrogen or deuterium, even in the presence of heavy elements such as rare-earth metals. In this work, we report on the current status and ongoing developments on high-pressure neutron diffraction for hydride superconductors and other metal hydrides with a special focus on current advancements at the Spallation Neutrons and Pressure (SNAP) beamline of the Spallation Neutron Source at Oak Ridge National Laboratory. For broader context, an overview of high-pressure neutron diffractometers and pressure cells is included together with insight into critical sample considerations. There, attention is given to the requirements for powdered hydride samples and the need for deuterium rather than hydrogen. Additionally, the advantages of angular access and data representation as possible at SNAP are described. We demonstrate the current capability for high-pressure neutron diffraction on two different samples created via hydrogen gas loading, specifically pure deuterium and nickel-deuteride. The deuterium example highlights the usefulness of adding sample materials that facilitate the formation of a good powder while the nickel-deuteride example demonstrates that atomic deuterium positions and stoichiometry can be directly determined. Both examples highlight the importance of large scattering apertures. These enable investigation of the data resolved by scattering angle that is needed to identify parasitic peaks and background features. Finally, future directions beyond current high-pressure neutron powder diffraction are also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

A Novel Method for Characterization of Superconductors: Physical Measurements and Modeling of Thin Films

A method for characterization of granular superconducting thin films has been developed which encompasses both the morphological state of the sample and its fabrication process parameters. The broad scope of this technique is due to the synergism between experimental measurements and their interpretation using numerical simulation. Two novel technologies form the substance of this system: the magnetically modulated resistance method for characterizing superconductors; and a powerful new computer peripheral, the Parallel Information Processor card, which provides enhanced computing capability for PC computers. This enhancement allows PC computers to operate at speeds approaching that of supercomputers. This makes atomic scale simulations possible on low cost machines. The present development of this system involves the integration of these two technologies using mesoscale simulations of thin film growth. A future stage of development will incorporate atomic scale modeling.

Kim, B. F.↗
NASA NTRS1997

Static Test for a Gravitational Force Coupled to Type 2 YBCO Superconductors

As a Bose condensate, superconductors provide novel conditions for revisiting previously proposed couplings between electromagnetism and gravity. Strong variations in Cooper pair density, large conductivity and low magnetic permeability define superconductive and degenerate condensates without the traditional density limits imposed by the Fermi energy (approx. 10(exp -6) g cc. Recent experiments have reported anomalous weight loss for a test mass suspended above a rotating type II, YBCO superconductor, with the percentage change (0.05 - 2.1 %) independent of the test mass' chemical composition and diamagnetic properties. A variation of 5 parts per 10' was reported above a stationary (non-rotating) superconductor. In experiments using a sensitive gravimeter, bulk YBCO superconductors were stably levitated in a DC magnetic field. Changes in acceleration were measured to be less than 2 parts in 108 of the normal gravitational acceleration. This result puts new limits on the strength and range of the proposed coupling between static superconductors and gravity.

Li, Ning↗
NASA NTRS1999

Test Status for Proposed Coupling of a Gravitational Force to Extreme Type II YBCO Ceramic Superconductors

As a Bose condensate, superconductors provide novel conditions for revisiting previously proposed couplings between electromagnetism and gravity. Strong variations in Cooper pair electron density, large conductivity and low magnetic permeability define superconductive and degenerate condensates without the traditional density limits imposed by the Fermi energy (about 10-6 g/cu cm). Recent experiments have reported anomalous weight loss for a test mass suspended above a rotating Type II, YBCO superconductor, with the percentage change (0.05-2.1%) independent of the test mass' chemical composition and diamagnetic properties. A variation of 5 parts per 10(exp 4) was reported above a stationary (non-rotating) superconductor. In the present experiments reported using a sensitive gravimeter (resolution <10(exp -9) unit gravity or variation of 10(exp -6) cm/sq s in accelerations), bulk YBCO superconductors were stably levitated in a DC magnetic field (0.6 Tesla) subject to lateral AC fields (60 Gauss at 60 Hz) and rotation. With magnetic shielding, thermal control and buoyancy compensation, changes in acceleration were measured to be less than 2 parts in 10(exp 8) of the normal gravitational acceleration. This result puts new limits on the strength and range of the proposed coupling between high-Tc superconductors and gravity. Latest test results will be reported, along with status for future improvements and prospects.

Noever, David↗
NASA NTRS1999

Granular Superconductors and Gravity

As a Bose condensate, superconductors provide novel conditions for revisiting previously proposed couplings between electromagnetism and gravity. Strong variations in Cooper pair density, large conductivity and low magnetic permeability define superconductive and degenerate condensates without the traditional density limits imposed by the Fermi energy (approx. 10(exp -6) g cu cm). Recent experiments have reported anomalous weight loss for a test mass suspended above a rotating Type II, YBCO superconductor, with a relatively high percentage change (0.05-2.1%) independent of the test mass' chemical composition and diamagnetic properties. A variation of 5 parts per 104 was reported above a stationary (non-rotating) superconductor. In experiments using a sensitive gravimeter, bulk YBCO superconductors were stably levitated in a DC magnetic field and exposed without levitation to low-field strength AC magnetic fields. Changes in observed gravity signals were measured to be less than 2 parts in 108 of the normal gravitational acceleration. Given the high sensitivity of the test, future work will examine variants on the basic magnetic behavior of granular superconductors, with particular focus on quantifying their proposed importance to gravity.

Noever, David↗