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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Pairing and Short-Range Correlations in Nuclear Systems

The structure and density dependence of the pairing gap in infinite matter is relevant for astrophysical phenomena and provides a starting point for the discussion of pairing properties in nuclear structure. Short-range correlations can significantly deplete the available single-particle strength around the Fermi surface and thus provide a reduction mechanism of the pairing gap. Here, we study this effect in the singlet and triplet channels of both neutron matter and symmetric nuclear matter. Our calculations use phase-shift equivalent interactions and chiral two-body and three-body interactions as a starting point. We find an unambiguous reduction of the gap in all channels with very small dependence on the NN force in the singlet neutron matter and the triplet nuclear matter channel. In the latter channel, SRC alone provide a 50% reduction of the pairing gap.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Landau-phonon polaritons in Dirac heterostructures

Polaritons are light-matter quasiparticles that govern the optical response of quantum materials at the nanoscale, enabling on-chip communication and local sensing. Here, we report Landau-phonon polaritons (LPPs) in magnetized charge-neutral graphene encapsulated in hexagonal boron nitride (hBN). These quasiparticles emerge from the interaction of Dirac magnetoexciton modes in graphene with the hyperbolic phonon polariton modes in hBN. Using infrared magneto-nanoscopy, we reveal the ability to completely halt the LPP propagation in real space at quantized magnetic fields, defying the conventional optical selection rules. The LPP-based nanoscopy also tells apart two fundamental many-body phenomena: the Fermi velocity renormalization and field-dependent magnetoexciton binding energies. Our results highlight the potential of magnetically tuned Dirac heterostructures for precise nanoscale control and sensing of light-matter interaction.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Pseudogap behavior in the emery model for the electron-doped superconductor Nd{sub 2-x}Ce{sub x}CuO{sub 4}: Multiband LDA + DMFT + {Sigma}{sub k} approach

We propose a generalization of the LDA + DMFT + {Sigma}{sub k} approach to the multiband case, in which correlated and uncorrelated states are present in the model simultaneously. Using the multiband version of the LDA + DMFT + {Sigma}{sub k} approach, we calculate the density of states and spectral functions for the Emery model in a wide energy interval around the Fermi level. We also obtain the Fermi surfaces for the electron-doped high-temperature superconductor Nd{sub 2-x}Ce{sub x}CuO{sub 4} in the pseudogap phase. The self-energy part {Sigma}{sub k} introduced additionally to take into account pseudogap fluctuations describes the nonlocal interaction of correlated electrons with collective Heisenberg short-range spin fluctuations. To solve the effective impurity model, the numerical renorm-group (NRG) method is used for the DMFT equations. Good qualitative agreement of the Fermi surfaces calculated using the LDA + DMFT + {Sigma}{sub k} approach and experimental angle-resolved photoemission spectroscopic data is attained. The stability of the dielectric solution with charge transfer in the Emery model with correction for double counting is analyzed in the Appendix.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Ground-state and dynamical properties of two-dimensional dipolar Fermi liquids

We study the ground-state properties of a two-dimensional spin-polarized fluid of dipolar fermions within the Euler–Lagrange Fermi-hypernetted-chain approximation. Our method is based on the solution of a scattering Schrödinger equation for the “pair amplitude” √(g(r)), where g(r) is the pair distribution function. A key ingredient in our theory is the effective pair potential, which includes a bosonic term from Jastrow–Feenberg correlations and a fermionic contribution from kinetic energy and exchange, which is tailored to reproduce the Hartree–Fock limit at weak coupling. Very good agreement with recent results based on quantum Monte Carlo simulations is achieved over a wide range of coupling constants up to the liquid-to-crystal quantum phase transition. Using the fluctuation–dissipation theorem and a static approximation for the effective inter-particle interactions, we calculate the dynamical density–density response function, and furthermore demonstrate that an undamped zero-sound mode exists for any value of the interaction strength, down to infinitesimally weak couplings. -- Highlights: •We have studied the ground state properties of a strongly correlated two-dimensional fluid of dipolar fermions. •We have calculated the effective inter-particle interaction and the dynamical density–density response function. •We have shown that an undamped zero sound mode exists at any value of the interaction strength.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Electronic structures, elastic properties, and minimum thermal conductivities of cermet M{sub 3}AlN

The electronic structures and elastic anisotropies of cubic Ti{sub 3}AlN, Zr{sub 3}AlN, and Hf{sub 3}AlN are investigated by pseudopotential plane-wave method based on density functional theory. At the Fermi level, the electronic structures of these compounds are successive with no energy gap between conduct and valence bands, and exhibit metallicity in ground states. In valence band of each partial density of states, the different orbital electrons indicate interaction of corresponding atoms. In addition, the anisotropy of Hf{sub 3}AlN is found to be significantly different from that of Ti{sub 3}AlN and Zr{sub 3}AlN, which involve the differences in the bonding strength. It is notable that Hf{sub 3}AlN is a desired thermal barrier material with the lowest thermal conductivity at high temperature among the three compounds. - Graphical abstract: 1.Young's moduli of anti-perovskite Ti{sub 3}AlN, Zr{sub 3}AlN, and Hf{sub 3}AlN in full space. 2.Electron density differences on crystal planes (1 0 0), (2 0 0), and (1 1 0) of anti-perovskite Zr{sub 3}AlN. - Highlights: • We calculated three anti-perovskite cermets with first-principles theory. • We illustrated 3D Young modulus and found the anomalous anisotropy. • We explained the anomaly and calculated the minimum thermal conductivities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The Subchalcogenides Ir 2 In 8 Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation

Subchalcogenides are uncommon compounds where the metal atoms are in unusually low formal oxidation states. They bridge the gap between intermetallics and semiconductors and can have unexpected structures and properties because of the exotic nature of their chemical bonding as they contain both metal–metal and metal–main group (e.g., halide, chalcogenide) interactions. Finding new members of this class of materials presents synthetic challenges as attempts to make them often result in phase separation into binary compounds. We overcome this difficulty by utilizing indium as a metal flux to synthesize large (millimeter scale) single crystals of novel subchalcogenide materials. Herein, we report two new compounds Ir 2 In 8 Q (Q = Se, Te) and compare their structural and electrical properties to the previously reported Ir 2 In 8 S analogue. Ir 2 In 8 Se and Ir 2 In 8 Te crystallize in the $P_{4_2}$/mnm space group and are isostructural to Ir2In8S, but also have commensurately modulated (with q vectors q = 1/6a* + 1/6b* and q = 1/10a* + 1/10b* for Ir 2 In 8 Se and Ir 2 In 8 Te, respectively) low-temperature phase transitions, where the chalcogenide anions in the channels experience a distortion in the form of In–Q bond alternation along the ab plane. Both compounds display re-entrant structural behavior, where the supercells appear on cooling but revert to the original subcell below 100 K, suggesting competing structural and electronic interactions dictate the overall structure. Notably, these materials are topological semimetal candidates with symmetry-protected Dirac crossings near the Fermi level and exhibit high electron mobilities (~1500 cm 2 V –1 s –1 at 1.8 K) and moderate carrier concentrations (~10 20 cm –3 ) from charge transport measurements. This work highlights metal flux as a synthetic route to high quality single crystals of novel intermetallic subchalcogenides with Dirac semimetal behavior.

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

Chiral superconductivity with enhanced quantized Hall responses in moiré transition metal dichalcogenides

Experimental demonstrations of tunable correlation effects in magic-angle twisted bilayer graphene have put two-dimensional moiré quantum materials at the forefront of condensed-matter research. Other twisted few-layer graphitic structures, boron-nitride, and homo- or hetero-stacks of transition metal dichalcogenides (TMDs) have further enriched the opportunities for analysis and utilization of correlations in these systems. Recent experiments within the latter material class confirmed the relevance of many-body interactions and demonstrated the importance of their extended range. Since the interaction, its range, and the filling can be tuned experimentally by twist angle, substrate engineering and gating, we here explore Fermi surface instabilities and resulting phases of matter of hetero-bilayer TMDs. Using an unbiased renormalization group approach, we establish in particular that hetero-bilayer TMDs are platforms to realize topological superconductivity with winding number |$\mathcal{N}$| = 4. We show that this state reflects in pronounced experimental signatures, such as distinct quantum Hall features.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Suzaku X-ray observations of the Fermi Bubbles: Northernmost cap and southeast claw discovered with maxi-SSC

We report on Suzaku observations of large-scale X-ray structures possibly related to the Fermi Bubbles obtained in 2013 with a total duration of ≃80 ks. The observed regions were (1) the northern cap (N-cap; l ∼ 0°, 45°<b< 55°) seen in the mid-band (1.7–4.0 keV) map recently provided by Monitor of All-sky X-ray Image Solid-state Slit Camera (MAXI-SSC) and (2) the southeast claw (SE-claw; l ∼ 10°, −20{sup ∘}<b<−10{sup ∘}) seen in the ROSAT all-sky map and MAXI-SSC low-band (0.7–1.7 keV) map. In each region, we detected diffuse X-ray emission, which is represented by a three-component plasma model consisting of an unabsorbed thermal component (kT ≃ 0.1 keV) from the Local Hot Bubble, absorbed kT = 0.30 ± 0.05 keV emission representing the Galactic halo (GH), and a power-law component due to the isotropic cosmic X-ray background radiation. The emission measure of the GH component in the SE-claw shows an excess by a factor of ≃2.5 over the surrounding emission at 2° away. We also found a broad excess in the 1.7–4.0 keV count rates across the N-cap after compiling other archival data from Suzaku and Swift. The spectral stacking analysis of the N-cap data indicates the presence of another thermal component with kT = 0.70{sub −0.11}{sup +0.22}keV. The temperature kT ≃ 0.3 keV of the GH is higher than the ubiquitous value of kT ≃ 0.2 keV near the Fermi bubbles, and can be even higher (∼0.7 keV). We discuss our findings in the context of the bubble–halo interaction.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

DARK MATTER SEARCHES IN THE GAMMA-RAY EXTRAGALACTIC BACKGROUND VIA CROSS-CORRELATIONS WITH GALAXY CATALOGS

We compare the measured angular cross-correlation between the Fermi-Large Area Telescope γ-ray sky and catalogs of extragalactic objects with the expected signal induced by weakly interacting massive particle (WIMP) dark matter (DM). We include a detailed description of the contribution of astrophysical γ-ray emitters such as blazars, misaligned active galactic nucleus (AGN), and star-forming galaxies, and perform a global fit to the measured cross-correlation. Five catalogs are considered: Sloan Digital Sky Survey (SDSS)-DR6 quasars, Two Micron All Sky Survey galaxies, NRAO VLA Sky Survey radio galaxies, SDSS-DR8 Luminous Red Galaxies, and the SDSS-DR8 main galaxy sample. To model the cross-correlation signal, we use the halo occupation distribution formalism to estimate the number of galaxies of a given catalog in DM halos and their spatial correlation properties. We discuss uncertainties in the predicted cross-correlation signal arising from the DM clustering and WIMP microscopic properties, which set the DM γ-ray emission. The use of different catalogs probing objects at different redshifts significantly reduces, though not completely, the degeneracy among the different γ-ray components. We find that the presence of a significant WIMP DM signal is allowed by the data but not significantly preferred by the fit, although this is mainly due to a degeneracy with the misaligned AGN component. With modest substructure boost, the sensitivity of this method excludes thermal annihilation cross sections at 95% level for WIMP masses up to few tens of GeV. Constraining the low-redshift properties of astrophysical populations with future data will further improve the sensitivity to DM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Gapless Floquet topology

Symmetry-protected topological (SPT) phases in insulators and superconductors are known for their robust edge modes, linked to bulk invariants through the bulk-boundary correspondence. While this principle traditionally applies to gapped phases, recent advances have extended it to gapless systems, where topological edge-states persist even in the absence of a bulk gap. We extend this framework to periodically driven chains with chiral symmetry, revealing the existence of topological edge zero and π modes despite the lack of bulk gaps in the quasienergy spectrum. By examining the half-period decomposition of chiral evolutions, we construct topological invariants that circumvent the need to define the Floquet Hamiltonian, making them more suitable for generalization to the gapless regime. We provide explicit examples, including generalizations of the Kitaev chain and related spin models, where localized π modes emerge even when the bulk is gapless at the same quasienergy as the edge modes. Here, we numerically study the effect of interactions, which give a finite lifetime to the edge modes in the thermodynamic limit with the decay rate consistent with Fermi's golden rule.

1-dimensional systems↗
DOE OSTI2020

Measurements of pressure-induced $Kβ$ line shifts in ramp compressed cobalt up to 8 Mbar

Here we report measurements of K -shell fluorescence lines induced by fast electrons in ramp-compressed Co targets. The fluorescence emission was stimulated by fast electrons generated through short-pulse laser-solid interaction with an Al target layer. Compression up to 2.1 × solid density was achieved while maintaining temperatures well below the Fermi energy, effectively removing the thermal effects from consideration. We observed small but unambiguous redshifts in the K β fluorescence line relative to unshifted Cu K α . Redshifts up to 2.6 eV were found to increase with compression and to be consistent with predictions from self-consistent models based on density-functional theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Quantum turbulence, superfluidity, non-Markovian dynamics, and wave function thermalization

While quantum turbulence has been addressed both experimentally (predominantly for superfluid He 4 and He 3 ) and theoretically, the dynamics of various ensembles of quantized vortices has been followed in time only until the vortices have decayed into phonons. How this “thermalization” is achieved is still an unaddressed and thus an unelucidated question. The unitary Fermi gas (UFG) is a unique quantum system, which has no classical counterpart and is of relevance to neutron stars, cold atoms, condensed-matter and nuclear many-body systems. The non-Markovian evolution of an isolated UFG is put in evidence and its entire nonequilibrium evolution can be studied theoretically within a unified theoretical framework. The initial lattice of quantum vortices and antivortices evolves through a couple of vortex tangles and excitation of Kelvin waves, where vortices cross and reconnect, until very slowly thermalization sets in. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

New Analogies Between Extreme QCD and Cold Atoms

Plan of this talk: 1. “Hard probes” in cold atoms - Use of energetic atoms to locally probe strongly-interacting atomic gases; 2. "Quark-hadron continuity" in cold atoms - Smooth crossover from atoms to trimers in 3-component Fermi gases.

Atomic & Molecular Physics(74)↗
DOE OSTI2019

Hundness versus Mottness in a three-band Hubbard–Hund model: On the origin of strong correlations in Hund metals☆

Hund metals are multi-orbital systems with moderate Coulomb interaction, U, among charges and sizeable Hund’s rule coupling, J(<U), that aligns the spins in different orbitals. They show strong correlation effects, like very low Fermi-liquid coherence scales and intriguing incoherent transport regimes, resulting in bad metallic behavior. But to what extent are these strong correlations governed by Mottness, i.e. the blocking of charge fluctuations close to a Mott insulator transition (MIT) induced by U, or by Hundness, a new route towards strong correlations induced by J? To answer this question, we study the full phase diagram of a degenerate three-band Hubbard–Hund model on a Bethe lattice at zero temperature using single-site dynamical mean-field theory and the numerical renormalization group as efficient real-frequency multi-band impurity solver. Hund metal behavior occurs in this minimal model for a filling close to n{sub d}=2, moderate U and sizeable J, the “Hund-metal regime”. In particular, strong correlations manifest themselves there by an unusually low quasiparticle weight. Generalizing previous results on this model, we show that “spin–orbital separation” (SOS) is a generic Hund’s-coupling-induced feature in the whole metallic regime of the phase diagram for 1<n{sub d}<3 and sizeable J. There orbital screening always occurs at much higher energies than spin screening below which Fermi-liquid behavior sets in. The low quasiparticle weight can then be directly explained in terms of the Hund’s-coupling-reduced Fermi-liquid scale. We carefully analyze the effect of J (Hundness), and the effect of the MIT at n{sub d}=2 and n{sub d}=3 (Mottness) on the energy scales and the nature of SOS. In the Hund-metal regime, far from any MIT, Hundness is shown to be the key player to induce strong correlations by constraining the spin rather than the charge dynamics. There, physical properties are governed by a broad incoherent energy regime of SOS where intriguing Hund metal physics occurs: large, almost unscreened spins are coupled to screened orbital degrees of freedom. With increasing proximity to an MIT correlations are further enhanced and the Fermi-liquid scale is further reduced. However, in the Hund-metal regime, this effect of Mottness is minor. In contrast, very close to the MIT at n{sub d}=2, the incoherent spin–orbital separation regime is strongly downscaled and becomes negligibly small, whereas Mottness – the localization of charges – becomes dominant in inducing strong correlations. Close to the MIT at n{sub d}=3, the SOS regime widens up because the orbital degrees of freedom get blocked by the formation of an S=(3/2) impurity spin, but its nature changes: the orbital and spin dynamics get decoupled. Our results confirm Hundness as a distinct mechanism towards strong correlations in the normal state of Hund metals, leading to various interesting implications for the nature of electronic transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Expansion dynamics of a two-component quasi-one-dimensional Bose–Einstein condensate: Phase diagram, self-similar solutions, and dispersive shock waves

We investigate the expansion dynamics of a Bose–Einstein condensate that consists of two components and is initially confined in a quasi-one-dimensional trap. We classify the possible initial states of the two-component condensate by taking into account the nonuniformity of the distributions of its components and construct the corresponding phase diagram in the plane of nonlinear interaction constants. The differential equations that describe the condensate evolution are derived by assuming that the condensate density and velocity depend on the spatial coordinate quadratically and linearly, respectively, which reproduces the initial equilibrium distribution of the condensate in the trap in the Thomas–Fermi approximation. We have obtained self-similar solutions of these differential equations for several important special cases and write out asymptotic formulas describing the condensate motion on long time scales, when the condensate density becomes so low that the interaction between atoms may be neglected. The problem on the dynamics of immiscible components with the formation of dispersive shock waves is considered. We compare the numerical solutions of the Gross–Pitaevskii equations with their approximate analytical solutions and numerically study the situations where the analytical method being used admits no exact solutions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Interaction Induced Staggered Spin-Orbit Order in Two-Dimensional Electron Gas

Decoupling spin and charge transports in solids is among the many prerequisites for realizing spin electronics, spin caloritronics, and spin-Hall effect. Beyond the conventional method of generating and manipulating spin current via magnetic knob, recent advances have expanded the possibility to optical and electrical method which are controllable both internally and externally. Yet, due to the inevitable presence of charge excitations and electrical polarizibility in these methods, the separation between spin and charge degrees of freedom of electrons remains a challenge. Here we propose and formulate an interaction induced staggered spin-orbit order as a new emergent phase of matter. We show that when some form of inherent spin-splitting via Rashba-type spin-orbit coupling renders two helical Fermi surfaces to become significantly nested, a Fermi surface instability arises. To lift this degeneracy, a spontaneous symmetry breaking spin-orbit density wave develops, causing a surprisingly large quasiparticle gapping with chiral electronic states, with no active charge excitations. Since the staggered spin-orbit order is associated with a condensation energy, quantified by the gap value, destroying such spin-orbit interaction costs sufficiently large perturbation field or temperature or de-phasing time. BiAg2 surface state is shown to be a representative system for realizing such novel spin-orbit interaction with tunable and large strength, and the spin-splitting is decoupled from charge excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Low-energy phonons in Bi 2 Sr 2 CaCu 2 O 8 + δ and their possible interaction with electrons measured by inelastic neutron scattering

Electron-phonon interaction in copper oxide superconductors is still enigmatic. Strong coupling for certain optic phonons is now well established experimentally, but theoretical understanding is challenging. Scattering of electrons near the Fermi surface by the longitudinal acoustic (LA) phonons is expected from basic theory because these phonons modulate electron density. We used inelastic neutron scattering on a large single crystal sample of optimally-doped Bi 2 Sr 2 CaCu 2 O 8+δ to show that low-energy LA phonons could couple to electronic density fluctuations only at small phonon wavevectors, which naturally limits any interaction to forward scattering. Such scattering should not be pairbreaking in the case of the d-wave gap. We also found that previously reported low energy phonon spectral weight half-way to the zone boundary is consistent with conventional lattice dynamics and does not reflect incipient charge density wave (CDW).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Conservation laws, vertex corrections, and screening in Raman spectroscopy

We present a microscopic theory for the Raman response of a clean multiband superconductor, with emphasis on the effects of vertex corrections and long-range Coulomb interaction. The measured Raman intensity, R⁡(Ω), is proportional to the imaginary part of the fully renormalized particle-hole correlator with Raman form factors γ⁡( ⃗ k). In a BCS superconductor, a bare Raman bubble is nonzero for any γ⁡( ⃗ k) and diverges at Ω = 2⁢Δ max , where Δ max is the largest gap along the Fermi surface. However, for γ( ⃗ k) = constant, the full R⁡(Ω) is expected to vanish due to particle number conservation. It was sometimes stated that this vanishing is due to the singular screening by long-range Coulomb interaction. In our general approach, we show diagrammatically that this vanishing actually holds due to vertex corrections from the same short-range interaction that gives rise to superconductivity. We further argue that long-range Coulomb interaction does not affect the Raman signal for any γ( ⃗ k). We argue that vertex corrections eliminate the divergence at 2⁢Δ max . Here, we also argue that vertex corrections give rise to sharp peaks in R(Ω) at Ω < 2⁢Δ min (the minimum gap along the Fermi surface), when Ω coincides with the frequency of one of the collective modes in a superconductor, e.g., Leggett and Bardasis-Schrieffer modes in the particle-particle channel, and an excitonic mode in the particle-hole channel.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗