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At least 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Electronic Structure of Compressively Strained Bilayer Nickelate Thin Film

The discovery of superconductivity in bulk bilayer nickelates under high pressure, and its subsequent stabilization in compressively strained thin films at ambient pressure, has established a new platform for exploring high-𝑇 c superconductivity beyond the cuprates. Central to this development is the prominent role of the 3⁢𝑑$^2_𝑧$ orbital in shaping the low-energy electronic structure, imposing constraints on microscopic theories and fueling debate over the superconducting mechanism. Here we report a systematic in situ angle-resolved photoemission spectroscopy study of compressively strained bilayer nickelate thin films spanning Ca doping, oxygen stoichiometry and film thickness. Despite variations in oxygen-vacancy disorder and surface termination, the electronic structure remains robust and exhibits a systematic strain-driven evolution consistent with an intermediate-correlation regime. In particular, we demonstrate a Ca-doping-induced electronic structure evolution that is consistent with Fermi-level crossing of the 𝛾 band and is decoupled from the presence of superconductivity, suggesting that, while important for the 𝛾 band to be near the Fermi level, the debated 𝛾 crossing and the resulting Fermi pocket may not be a prerequisite for superconductivity. Together, our results establish key spectroscopic constraints on the minimal fermiology and correlation strength relevant to superconductivity in bilayer nickelates, providing an experimental foundation for microscopic theories of their pairing mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Quantum dynamics of cold atomic gas with SU(1,1) symmetry

Motivated by recent advances in quantum dynamics, we investigate the dynamics of the system with SU(1,1) symmetry. Instead of performing the time-ordered integral for the evolution operator of the time-dependent Hamiltonian, we show that the time evolution operator can be expressed as an SU(1,1) group element. Since the SU(1,1) group describes the “rotation” on a hyperbolic surface, the dynamics can be visualized on a Poincaré disk, a stereographic projection of the upper hyperboloid. As an example, we present the trajectory of the revival of Bose-Einstein condensation and that of the scale-invariant Fermi gas on the Poincaré disk. Further considering quantum gases in an oscillating lattice, we also study the dynamics of the system with time-dependent single-particle dispersion.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Visualizing the out-of-plane electronic dispersions in an intercalated transition metal dichalcogenide

Layered transition metal dichalcogenides have a rich phase diagram and they feature two-dimensionality in numerous physical properties. Co 1/3 NbS 2 is one of the newest members of this family where Co atoms are intercalated into the van der Waals gaps between NbS 2 layers. Here, we study the three-dimensional electronic band structure of Co 1/3 NbS 2 using both surface and bulk sensitive angle-resolved photoemission spectroscopy. We show that the electronic bands do not fit into the rigid band shift picture after the Co intercalation. Instead, Co 1/3 NbS 2 displays a different orbital character near the Fermi level compared to the pristine NbS 2 compound and has a clear band dispersion in the k z direction despite its layered structure. Our photoemission study demonstrates the out-of-plane electronic correlations introduced by the Co intercalation, thus offering a different perspective on this compound. Finally, we propose how Fermi level tuning could lead to exotic phases such as spin density wave instability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1983

Some spectral plasma diagnostics for prominences and structures in the middle chromosphere

The present investigation is concerned with the statistical equilibrium of the low-lying levels of Na, Sr(+), and Ba(+) under conditions appropriate to structures just above the solar surface. The solar and atomic data required for this objective are largely available with an adequate precision. However, the metastable (2)D term photoionization cross sections had to be calculated. In the calculations a variant of the scaled Thomas-Fermy method suggested by Kahler (1971) was used. The Na and Sr(+) resonance lines are readily measurable in ordinary prominences. The Ba(+) are weak. It is shown that the ratio of Na to Sr(+) resonance-line integrated intensities provides a useful and sensitive electron-density diagnostic for prominences, yielding values in the neighborhood of 10 to the 11th per cu cm. The statistical equilibrium solutions are applied to an analysis of data from the flash spectrum at eclipse.

Landman, D. A.↗
DOE OSTI2014

High-energy gamma-ray emission from solar flares: Summary of Fermi large area telescope detections and analysis of two M-class flares

We present the detections of 18 solar flares detected in high-energy γ-rays (above 100 MeV) with the Fermi Large Area Telescope (LAT) during its first 4 yr of operation. This work suggests that particle acceleration up to very high energies in solar flares is more common than previously thought, occurring even in modest flares, and for longer durations. Interestingly, all these flares are associated with fairly fast coronal mass ejections (CMEs). We then describe the detailed temporal, spatial, and spectral characteristics of the first two long-lasting events: the 2011 March 7 flare, a moderate (M3.7) impulsive flare followed by slowly varying γ-ray emission over 13 hr, and the 2011 June 7 M2.5 flare, which was followed by γ-ray emission lasting for 2 hr. We compare the Fermi LAT data with X-ray and proton data measurements from GOES and RHESSI. We argue that the γ-rays are more likely produced through pion decay than electron bremsstrahlung, and we find that the energy spectrum of the proton distribution softens during the extended emission of the 2011 March 7 flare. This would disfavor a trapping scenario for particles accelerated during the impulsive phase of the flare and point to a continuous acceleration process at play for the duration of the flares. CME shocks are known for accelerating the solar energetic particles (SEPs) observed in situ on similar timescales, but it might be challenging to explain the production of γ-rays at the surface of the Sun while the CME is halfway to the Earth. A stochastic turbulence acceleration process occurring in the solar corona is another likely scenario. Detailed comparison of characteristics of SEPs and γ-ray-emitting particles for several flares will be helpful to distinguish between these two possibilities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

2D Metal/Graphene and 2D Metal/Graphene/Metal Systems for Electrocatalytic Conversion of CO 2 to Formic Acid

Abstract Efficiently transforming CO 2 into renewable energy sources is crucial for decarbonization efforts. Formic acid (HCOOH) holds great promise as a hydrogen storage compound due to its high hydrogen density, non‐toxicity, and stability under ambient conditions. However, the electrochemical reduction of CO 2 (CO 2 RR) on conventional carbon black‐supported metal catalysts faces challenges such as low stability through dissolution and agglomeration, as well as suffering from high overpotentials and the necessity to overcome the competitive hydrogen evolution reaction (HER). In this study, we modify the physical/chemical properties of metal surfaces by depositing metal monolayers on graphene (M/G) to create highly active and stable electrocatalysts. Strong covalent bonding between graphene and metal is induced by the hybridization of sp and d orbitals, especially the sharp , , and orbitals of metals near the Fermi level, playing a decisive role. Moreover, charge polarization on graphene in M/G enables the deposition of another thin metallic film, forming metal/graphene/metal (M/G/M) structures. Finally, evaluating overpotentials required for CO 2 reduction to HCOOH, CO, and HER, we find that Pd/G, Pt/G/Ag, and Pt/G/Au exhibit excellent activity and selectivity toward HCOOH production. Our novel 2D hybrid catalyst design methodology may offer insights into enhanced electrochemical reactions through the electronic mixing of metal and other p‐block elements.

Cho, Jinwon↗
DOE OSTI2018

Electric, thermoelectric and magnetic characterization of γ-Fe2O3 and Co3O4 nanoparticles synthesized by facile thermal decomposition of metal-Schiff base complexes

Highlights: • Fe and Co oxide NPs were prepared from Schiff base complexes as new precursors. • The electrical conduction in Fe and Co oxide NPs is governed by hopping processes. • Co{sub 3}O{sub 4} NPs show weak ferromagnetic ordering at room temperature. • γ-Fe{sub 2}O{sub 3} NPs have superparamagnetic behavior. - Abstract: Using novel compounds for synthesis of metal oxide nanomaterials can tune their physical properties due to the associated variation in the shape, size and crystallinity. In this work, γ-Fe{sub 2}O{sub 3} and Co{sub 3}O{sub 4} nanoparticles were successfully prepared by a facile thermal decomposition route, employing [Fe(C{sub 32}H{sub 22}N{sub 4}O{sub 2})]·2H{sub 2}O and [Co(C{sub 16}H{sub 11}N{sub 3}O{sub 4})].(1/2)H{sub 2}O complexes, respectively as new precursors. The x-ray diffraction and high resolution transmission electron microscopy investigation confirmed that the materials consist of highly pure spinel γ-Fe{sub 2}O{sub 3} and Co{sub 3}O{sub 4} nanoparticles with average size of ∼ 9 and 30 nm, respectively. The electrical conduction is governed by the hopping mechanism. The thermoelectric power measurements confirmed that Co{sub 3}O{sub 4} nanoparticles are non-degenerate semiconductor with Fermi energy ∼1.21 eV while γ-Fe{sub 2}O{sub 3} nanoparticles showed a degenerate to non-degenerate transition. The Co{sub 3}O{sub 4} nanoparticles showed a weak ferromagnetic ordering that could be attributed to uncompensated surface spins due to finite-size effects. But γ- Fe{sub 2}O{sub 3} NPs show superparamagnetic behavior at room temperature.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulations Reveal a Rotationally Fluid Adsorption State of α-Pinene on Silica

A rotationally fluid state of α-pinene at fused silica/vapor interfaces is revealed by computational and experimental vibrational sum frequency generation (SFG) studies. We report the first assignment of the vibrational modes in the notoriously congested C-H stretching region of α-pinene and identify its bridge methylene group on the four-membered ring ("βCH2") as the origin of its dominant spectral feature. We find that the spectra are perfused with Fermi resonances that need to be accounted for explicitly in the computation of vibrational spectra of strained hydrocarbons such α-pinene. The preferred orientations of α-pinene are consistent with optimization of van der Waals contacts with the silica surface that results in a bimodal distribution of highly fluxional orientations in which the βCH2 group points "towards" or "away from” the surface. The reported findings are particularly relevant to the exposure of α-pinene to primary oxidants in heterogeneous catalytic pathways that exploit α-pinene as a sustainable feedstock for fine chemicals and polymers.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2018

Co6Se8(PEt3)6 superatoms as tunable chemical dopants for two-dimensional semiconductors

Abstract Electronic, optoelectronic, and other functionalities of semiconductors are controlled by the nature and density of carriers, and the location of the Fermi energy. Developing strategies to tune these parameters holds the key to precise control over semiconductors properties. We propose that ligand exchange on superatoms can offer a systematic strategy to vary these properties. We demonstrate this by considering a WSe 2 surface doped with ligated metal chalcogenide Co 6 Se 8 (PEt 3 ) 6 clusters. These superatoms are characterized by valence quantum states that can readily donate multiple electrons. We find that the WSe 2 support binds more strongly to the Co 6 Se 8 cluster than the PEt 3 ligand, so ligand exchange between the phosphine ligand and the WSe 2 support is energetically favorable. The metal chalcogenide superatoms serves as a donor that may transform the WSe 2 p-type film into an n-type semiconductor. The theoretical findings complement recent experiments where WSe 2 films with supported Co 6 Se 8 (PEt 3 ) 6 are indeed found to undergo a change in behavior from p- to n-type. We further show that by replacing the PEt 3 ligands by CO ligands, one can control the electronic character of the surface and deposited species.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Non-Condon equilibrium Fermi’s golden rule electronic transition rate constants via the linearized semiclassical method

In this paper, we test the accuracy of the linearized semiclassical (LSC) expression for the equilibrium Fermi’s golden rule rate constant for electronic transitions in the presence of non-Condon effects. We do so by performing a comparison with the exact quantum-mechanical result for a model where the donor and acceptor potential energy surfaces are parabolic and identical except for shifts in the equilibrium energy and geometry, and the coupling between them is linear in the nuclear coordinates. Since non-Condon effects may or may not give rise to conical intersections, both possibilities are examined by considering: (1) A modified Garg-Onuchic-Ambegaokar model for charge transfer in the condensed phase, where the donor-acceptor coupling is linear in the primary mode coordinate, and for which non-Condon effects do not give rise to a conical intersection; (2) the linear vibronic coupling model for electronic transitions in gas phase molecules, where non-Condon effects give rise to conical intersections. We also present a comprehensive comparison between the linearized semiclassical expression and a progression of more approximate expressions. The comparison is performed over a wide range of frictions and temperatures for model (1) and over a wide range of temperatures for model (2). The linearized semiclassical method is found to reproduce the exact quantum-mechanical result remarkably well for both models over the entire range of parameters under consideration. In contrast, more approximate expressions are observed to deviate considerably from the exact result in some regions of parameter space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Microscopic Theory of Pinning of Multiquantum Vortex in Cylindrical Cavity

We have proposed and developed a microscopic model of depinning (escape) of a multiquantum vortex in a superconductor with a cylindrical nonconducting cavity with the transverse size smaller than or on the order of the superconducting coherence length ξ{sub 0} at zero temperature. The spectrum of subgap quasiparticle excitations in two- and three-quantum vortices trapped by a cylindrical cavity has been calculated in the quasiclassical approximation. It is shown that the transformation of the spectrum is accompanied by break of anomalous spectral branches due to normal reflection of quasiparticles from the surface of a defect. A microscopic (spectral) criterion for multiquantum vortex pinning has been proposed; according to this criterion, the multiquantum vortex can be trapped in the cavity during the formation of a minigap in the elementary excitation spectrum near the Fermi level. Self-consistent calculations of density of states N(r, ε) for two- and three-quantum vortices trapped by a cylindrical cavity of radius on the order of ξ{sub 0} have been performed using quasiclassical Eilenberger equations. In the pure limit and for low temperatures T ≪ T{sub c}, peculiarities observed in the N(r, ε) distribution reflect the presence of M anomalous spectral branches in the M-quantum vortex and confirm the correctness of the spectral criterion of pinning (depinning) of a multiquantum vortex.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1971

Noninteracting Fermi gas in a square-well potential.

The problem of a noninteracting Fermi gas in a finite square-well potential is solved analytically in the limit that the well becomes infinitely wide. The errors of previous authors using this model as a first approximation to the problem of a simple metal with surfaces are pointed out.

Nash, C. E.↗
NASA NTRS2014

NuSTAR Discovery Of A Young, Energetic Pulsar Associated with the Luminous Gamma-Ray Source HESS J1640-465

We report the discovery of a 206 ms pulsar associated with the TeV gamme-ray source HESS J1640−465 using the Nuclear Spectroscopic Telescope Array (NuSTAR) X-ray observatory. PSR J1640−4631 lies within the shelltype supernova remnant (SNR) G338.3−0.0, and coincides with an X-ray point source and putative pulsar wind nebula (PWN) previously identified in XMM-Newton and Chandra images. It is spinning down rapidly with period derivative P = 9.758(44) × 10(exp −13), yielding a spin-down luminosity E = 4.4 × 10(exp 36) erg s(exp −1), characteristic age tau(sub c) if and only if P/2 P = 3350 yr, and surface dipole magnetic field strength B(sub s) = 1.4×10(exp 13) G. For the measured distance of 12 kpc to G338.3−0.0, the 0.2-10 TeV luminosity of HESS J1640−465 is 6% of the pulsar's present E. The Fermi source 1FHL J1640.5−4634 is marginally coincident with PSR J1640−4631, but we find no gamma-ray pulsations in a search using five years of Fermi Large Area Telescope (LAT) data. The pulsar energetics support an evolutionary PWN model for the broadband spectrum of HESS J1640−465, provided that the pulsar's braking index is n approximately equal to 2, and that its initial spin period was P(sub 0) approximately 15 ms.

pulsars: individual↗
DOE OSTI2016

Integrating superconducting phase and topological crystalline quantum spin Hall effect in hafnium intercalated gallium film

Motivated by the growth of superconducting atomic hexagonal Ga layers on GaN surface we have calculated the electronic properties of Hf intercalated honeycomb Ga layers using first-principles theory. In contrast to the hexagonal Ga layers where substrate is necessary for their stability, we find the above structure to be dynamically stable in its freestanding form with small formation energy. In particular, six Dirac cones composed of Hf-d{sub xy}/d{sub x2-y2} orbitals are observed in the first Brillouin zone, slightly below the Fermi energy. Spin-orbit coupling opens a large band gap of 177 meV on these Dirac cones. By calculating its mirror Chern number, we demonstrate that this band gap is topologically nontrivial and protected by mirror symmetry. Such mirror symmetry protected band gaps are rare in hexagonal lattice. A large topological crystalline quantum spin Hall conductance σ{sub SH} ∼ −4 e{sup 2}/h is also revealed. Moreover, electron-phonon coupling calculations reveal that this material is superconducting with a transition temperature T{sub c} = 2.4 K, mainly contributed by Ga out-of-plane vibrations. Our results provide a route toward manipulating quantum spin Hall and superconducting behaviors in a single material which helps to realize Majorana fermions and topological superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Design of the Cooling System of the Mu2e Electromagnetic Calorimeter at Fermi National Accelerator Laboratory

In this Thesis, the cooling of the electronics of the Mu2e calorimeter has been discussed. The analysed technical solutions for the cooling of the front-end boards, the waveform digitizers boards and the interface boards have been presented. The project of the crate has been showed in detail. It is placed in the outer surface of the calorimeter disk and it is a mechanical support for the boards and also part of the thermal circuit. The distributing system of the refrigerant fluid for the whole calorimeter has been analysed too. Then the manufacturing solutions of the crates and the components for the thermal path have been developed. At the end, the main experimental tests have been presented. They are going to be realized in the next months.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Electronic structure of cyclodextrin–carbon nanotube composite films

The electronic structures of two kinds of cyclodextrin–carbon nanotube (αCD–CNT and γCD–CNT) composite films are investigated by using (angular dependent) photoelectron spectroscopy to gain insight as to why the αCD–CNT and γCD–CNT composite films show different performances in biosensor applications. The γCD–CNT composite film is likely to have the CD localized on the surface rather than in the bulk of the film, while αCD–CNT has CD relatively more concentrated within the bulk of selvedge region of the film, rather than the surface. The results indicate that the CD, of the γCD–CNT composite, may be more bioactive, and possibly a better sensor of biomolecules due to the favorable surface position compared with that of αCD–CNT. The valence band of αCD–CNT and γCD–CNT show little difference from the CNT film except for a density of states, originating from CD, evident at a binding energy near 27 eV below Fermi level, meaning that there are few or no redox interactions between the CD and the CNT. The absence of a redox interaction between the CD and the CNT permits a clear electrochemical response to occur when guest biomolecules are captured on the composites, providing a route to biosensor applications.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Exploring the Extreme Universe with the Fermi Gamma-Ray Space Telescope

Because high-energy gamma rays are produced by powerful sources, the Fermi Gamma-ray Space Telescope provides a window on extreme conditions in the Universe. Some key observations of the constantly changing gamma-ray sky include: (1) Gamma-rays from pulsars appear to come from a region well above the surface of the neutron star; (2) Multiwavelength studies of blazars show that simple models of jet emission are not always adequate to explain what is seen; (3) Gamma-ray bursts can constrain models of quantum gravity; (4) Cosmic-ray electrons at energies approaching 1 TeV suggest a local source for some of these particles.

Thompson, D. J.↗
DOE OSTI2025

Coherently coupled carrier and phonon dynamics in elemental tellurium probed by extreme ultraviolet transient absorption

The narrow band-gap semiconductor elemental tellurium (Te) has a unique electronic structure due to strong spin-orbit splitting and a lack of inversion symmetry of its helical lattice. Using broadband extreme ultraviolet core-level transient absorption, we simultaneously measure the coherently coupled photoinduced carrier and lattice dynamics at the Te N4,5 edge initiated by a few-cycle NIR pulse. Ultrafast excitation of carriers leads to a coherently excited A1 phonon oscillation and the generation of a hot carrier population distribution that oscillates in temperature, and the phonon excursion and hot carrier temperature are π out of phase with respect to each other. The depths of modulation suggest a significant coupling between the electronic and lattice degrees of freedom in Te. A long-lived shift of the absorption edge suggests an excited state of Te in another equilibrium potential energy surface that lives on the order of the carrier recombination timescale. The observed phonon-induced oscillations of the hot carriers are supportive of a change in the metallicity, whereby Te becomes more metallic with increasing phonon-induced displacement. Additionally, near the Fermi level we observe an energy-dependent phase of the displacive excitation of the A1 phonon mode. The discovery of coherent coupling between the lattice and hot carriers in Te provides the basis to investigate coherent interactions between spin and orbital degrees of freedom. The results spectrally and temporally resolve the correlation between photoexcited hot carriers and coherent lattice excitations, providing insight on the optical manipulation of the Te electronic structure at high carrier densities exceeding 1021cm−3.

Adelman, Jonah R↗