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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Electrical tuning of a quantum plasmonic resonance

Surface plasmon (SP) excitations in metals facilitate confinement of light into deep-subwavelength volumes and can induce strong light–matter interaction. Generally, the SP resonances supported by noble metal nanostructures are explained well by classical models, at least until the nanostructure size is decreased to a few nanometres, approaching the Fermi wavelength λ F of the electrons. Although there is a long history of reports on quantum size effects in the plasmonic response of nanometre-sized metal particles systematic experimental studies have been hindered by inhomogeneous broadening in ensemble measurements, as well as imperfect control over size, shape, faceting, surface reconstructions, contamination, charging effects and surface roughness in single-particle measurements. In particular, observation of the quantum size effect in metallic films and its tuning with thickness has been challenging as they only confine carriers in one direction. Here, we show active tuning of quantum size effects in SP resonances supported by a 20-nm-thick metallic film of indium tin oxide (ITO), a plasmonic material serving as a low-carrier-density Drude metal. An ionic liquid (IL) is used to electrically gate and partially deplete the ITO layer. The experiment shows a controllable and reversible blue-shift in the SP resonance above a critical voltage. As a result, a quantum-mechanical model including the quantum size effect reproduces the experimental results, whereas a classical model only predicts a red shift.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tuning the electronic properties of MgB 2 by substitution with Mn and C

We use high-resolution angle-resolved photoemission spectroscopy (ARPES) to investigate the electronic band structure of the superconductors Mg 0.995 Mn 0.005 B 2 and Mg(B 0.98 C 0.02 ) 2 , in comparison with pristine MgB 2 . Our experimental findings reveal modest changes in the size of the Fermi surface sheets following manganese or carbon substitution, with the most pronounced effect observed in the outermost σ band. Additionally, the dispersion kink, indicative of strong renormalization due to the interaction between conduction electrons and phonon modes near −0.065 eV, remains unaffected by chemical substitution. Given that the superconducting transition temperature decreases significantly more rapidly in Mn-substituted MgB 2 than in C-substituted MgB 2 , our ARPES results strongly suggest that the primary mechanism behind the pronounced T C suppression in Mn–MgB 2 is the disruption of Cooper pairs via Abrikosov–Gorkov spin-flip scattering caused by the local magnetic moments of Mn.

ARPES↗
DOE OSTI2016

Di-photon excess at LHC and the gamma ray excess at the Galactic Centre

Motivated by the recent indications for a 750 GeV resonance in the di-photon final state at the LHC, in this work we analyse the compatibility of the excess with the broad photon excess detected at the Galactic Centre. Intriguingly, by analysing the parameter space of an effective models where a 750 GeV pseudoscalar particles mediates the interaction between the Standard Model and a scalar dark sector, we prove the compatibility of the two signals. We show, however, that the LHC mono-jet searches and the Fermi LAT measurements strongly limit the viable parameter space. We comment on the possible impact of cosmic antiproton flux measurement by the AMS-02 experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Tritium β decay and proton-proton fusion in pionless effective field theory

The Gamow-Teller and Fermi matrix elements, 〈 GT 〉 and 〈 F 〉 , respectively, for tritium β decay are calculated to next-to-leading order (NLO) in pionless effective field theory in the absence of Coulomb interactions and isospin violation giving the leading order predictions 〈 GT 〉 0 = 0.9807 and 〈 F 〉 0 = 1 . Using an experimentally determined value for the tritium β decay GT matrix element, the two-body axial current low energy constant is fixed at NLO yielding L 1 , A = 6.01 ± 2.08 fm 3 at the renormalization scale of the physical pion mass, which agrees with predictions based on naive dimensional analysis. The impact of L 1 , A on proton-proton fusion is also discussed. Finally, the consequences of Wigner-SU(4) spin-isospin symmetry are considered for the Gamow-Teller matrix element. Published by the American Physical Society 2024

Physics↗
DOE OSTI2018

Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin

From electronic-structure-based thermodynamic linear response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed—applying it on prototype refractory A2 Ta-Nb-Mo-W high-entropy alloys. Near ideal stoichiometry, this alloy has anomalous, intricate chemical ordering tendencies, with long-ranged chemical interactions that produce competing short-range order (SRO) with a crossover to spinodal segregation. This atypical SRO arises from canonical band behavior that, with alloying, creates features near the Fermi surface (well defined even with disorder) that change to simple commensurate SRO with (un)filling of these states. In conclusion, our results reveal how complexity and competing electronic effects control ordering in these alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A gamma-ray determination of the Universe’s star formation history

Here, the light emitted by all galaxies over the history of the Universe produces the extragalactic background light (EBL) at ultraviolet, optical, and infrared wavelengths. The EBL is a source of opacity for gamma rays via photon-photon interactions, leaving an imprint in the spectra of distant gamma-ray sources. We measured this attenuation using 739 active galaxies and one gamma-ray burst detected by the Fermi Large Area Telescope. This allowed us to reconstruct the evolution of the EBL and determine the star formation history of the Universe over 90% of cosmic time. Our star formation history is consistent with independent measurements from galaxy surveys, peaking at redshift z ~ 2. Upper limits of the EBL at the epoch of reionization suggest a turnover in the abundance of faint galaxies at z ~ 6.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Electron-hole pairing with nonzero momentum in a graphene bilayer

Electron-hole pairing due to the Coulomb interaction in the system of two graphene sheets has been considered. The critical transition temperature has been determined as a function of both the distance between the electron and hole Fermi lines and the triangular distortion of their spectrum. It has been shown that when the distance between Fermi lines is longer than a critical value, the temperature of the transition to a state with nonzero momentum of Cooper pairs (Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state) is higher than the temperature of the transition to the Bardeen-Cooper-Schrieffer state. The Josephson effect for the FFLO state has been analyzed, which is due to the tunneling of charge carriers between the graphene sheets. It has been shown that the spatial structure of the order parameter of the system in this state can be reconstructed, i.e., the FFLO state can be identified from the dependence of the tunneling current on the magnetic field parallel to the graphene sheets. Other experimental methods for studying the phase diagram of the system have been discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Theoretical Studies of Polar Systems near Ferroelectrics Quantum Critical Points (Final Report)

The PI has studied emergent quantum phases near polar quantum critical points. A first challenge was to develop a theoretical description of the observation that many polar materials undergo classical first-order transitions while displaying quantum criticality. The possibility of novel metallic states near polar quantum critical points was then studied; identification and characterization of a non-Fermi liquid phase was made in a multiband system. In dilute quantum critical polar metals, electronic coupling to polar energy fluctuations was shown to result in attractive electron-electron interactions and to superconductivity. A spin-phonon resonance measurement in applied magnetic field was proposed to determine the magnitude of spin-orbit mediated electron-phonon coupling; furthermore in the polar phase new field-induced phonon collective modes were identified with specific signatures for experiment. In order to keep current, the PI has also worked on other types of strongly correlated problems. With experimental groups, she has developed phenomenologies to identify and explain observed dynamical critical behaviors. The PI has studied the interplay of topology, fractionalization and deconfinement in a minimalist spin model. An emergent phase transition in a 1 + 1 frustrated spin nanotube has also been identified and characterized. The PI has also begun exploring criticality out of equilibrium, characterizing rich dynamical phases associated with photoinduced polar transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Constraining the Origin of Local Positrons with HAWC TeV Gamma-Ray Observations of Two Nearby Pulsar Wind Nebulae

Cosmic-ray positrons are charged antiparticles that strike Earth's atmosphere isotropically. At energies below several GeV they are produced by cosmic-ray protons interacting with nearby interstellar matter. At higher energies, an unexpected and unexplained excess above the proton-induced background has been detected by several satellites, including PAMELA, AMS-02 and Fermi. Due to energy losses in interstellar magnetic and radiation fields, the highest-energy positrons observed must have originated in our immediate Galactic neighborhood. This excess has been theorized to be originated from nearby astrophysical sources, dark matter, or new modes of cosmic-ray secondary production. Amongst the astrophysical sources, pulsars as Geminga and PSR B0656+14 have been proposed to be contributors to this excess. The HAWC Gamma-Ray Observatory reported the discovery of TeV gamma-ray emission extending several degrees around the positions of Geminga and PSR B0656+14 pulsars. Using the morphological and spectral measurements of these two VHE gamma-ray sources, we determine the diffusion coefficient of electrons escaping them and their contribution to the positron flux measured at Earth. For this assumption of isotropic diffusion, we find that neither of these sources make an appreciable contribution to the locally measured positron flux.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1990

Gamma rays from pulsar wind shock acceleration

A shock forming in the wind of relativistic electron-positron pairs from a pulsar, as a result of confinement by surrounding material, could convert part of the pulsar spin-down luminosity to high energy particles through first order Fermi acceleration. High energy protons could be produced by this mechanism both in supernova remnants and in binary systems containing pulsars. The pion-decay gamma-rays resulting from interaction of accelerated protons with surrounding target material in such sources might be observable above 70 MeV with EGRET (Energetic Gamma-Ray Experimental Telescope) and above 100 GeV with ground-based detectors. Acceleration of protons and expected gamma-ray fluxes from SN1987A, Cyg X-3 type sources and binary pulsars are discussed.

Harding, Alice K.↗
DOE OSTI2018

Localization of Interacting Dirac Fermions

By using exact quantum Monte Carlo calculations, we examine the interplay between localization of electronic states driven by many-body correlations and that by randomness in a two-dimensional system featuring linearly vanishing density of states at the Fermi level. A novel disorder-induced nonmagnetic insulating phase is found to emerge from the zero-temperature quantum critical point separating a semimetal and a Mott insulator. Within this phase, a phase transition from a gapless Anderson-like insulator to a gapped Mott-like insulator is identified. Implications of the phase diagram are also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

FERMI LAT DISCOVERY OF EXTENDED GAMMA-RAY EMISSIONS IN THE VICINITY OF THE HB 3 SUPERNOVA REMNANT

We report the discovery of extended gamma-ray emission measured by the Large Area Telescope (LAT) onboard the Fermi Gamma-ray Space Telescope in the region of the supernova remnant (SNR) HB 3 (G132.7+1.3) and the W3 II complex adjacent to the southeast of the remnant. W3 is spatially associated with bright {sup 12}CO (J = 1–0) emission. The gamma-ray emission is spatially correlated with this gas and the SNR. We discuss the possibility that gamma rays originate in interactions between particles accelerated in the SNR and interstellar gas or radiation fields. The decay of neutral pions produced in nucleon–nucleon interactions between accelerated hadrons and interstellar gas provides a reasonable explanation for the gamma-ray emission. The emission from W3 is consistent with irradiation of the CO clouds by the cosmic rays accelerated in HB 3.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Assessing spin-density wave formation in La 3 Ni 2 O 7 from electronic structure calculations

Here, we employ correlated density-functional theory methods (DFT + Hubbard U) to investigate the spin-density wave state of the bilayer Ruddlesden-Popper (RP) nickelate La 3 Ni 2 O 7 which becomes superconducting under pressure. We predict that the ground state of this bilayer RP material has traits of both the double spin-stripe and the single spin-charge stripe phases proposed in the literature as it corresponds to in-plane up/up′/down/down′ diagonal stripes with up/down being high spin (formally Ni 2+ : d 8 ), and up′ /down′ being low spin (formally Ni 3+ : d 7 ). The main feature of this solution (that is insulating even at U = 0) is the dominant role of the d x 2 −y 2 bands around the Fermi level, which would become doped with the introduction of electrons via oxygen vacancies. In spite of the similarity with cuprates in terms of the dominant role of d x 2 −y 2 bands, some differences are apparent in the magnetic ground state of La 3 Ni 2 O 7 : the antiferromagnetic out-of-plane coupling within the bilayer (linked to the d z 2 orbitals forming a spin-singlet-like configuration) is found to be the dominant one while in-plane interactions are reduced due to the stripe order of the ground state. With pressure, this striped magnetic ground state remains similar in nature but the increase in bandwidth quickly transitions La 3 Ni 2 O 7 into a metallic state with all the activity close to the Fermi level involving, to a large extent, d x 2 −y 2 orbitals. This is reminiscent of the cuprates and may provide key insights into how superconductivity arises in this material under pressure.

LaBollita, Harrison↗
DOE OSTI2023

Universal and nonuniversal features of Bardeen-Cooper-Schrieffer theory with finite-range interactions

Here, we study analytic solutions to the Bardeen-Cooper-Schrieffer (BCS) gap equation for isotropic superconductors with finite-range interaction potentials over the full range of temperatures from absolute zero to the superconducting critical temperature 0 ≤ T ≤ T c . Using these solutions Δ (ε,T), we provide a proof of the universality of the temperature dependence of the BCS gap ratio at the Fermi level Δ (ε = 0,T)/T c . Moreover, by examining the behavior of this ratio as a function of energy ε, we find that nonuniversal features emerge away from the Fermi level, and these features take the form of a temperature-independent multiplicative factor F(ε), which is equal to Δ (ε,T)/Δ(ε = 0,T) up to exponentially small corrections, i.e., the error terms vanish like e -1/λ in the weak-coupling limit λ → 0. We discuss the model-dependent features of both F(ε) and T c , and we illustrate their behavior focusing on several concrete examples of physically relevant finite-range potentials. Comparing these cases for fixed coupling constants, we highlight the importance of the functional form of the interaction potential in determining the size of the critical temperature and provide guidelines for choosing potentials which lead to higher values of T c . We also propose experimental signatures which could be used to probe the energy dependence of the gap and potentially shed light on the underlying mechanisms giving rise to superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Piecewise interaction picture density matrix quantum Monte Carlo

The density matrix quantum Monte Carlo (DMQMC) set of methods stochastically samples the exact N-body density matrix for interacting electrons at finite temperature. We introduce a simple modification to the interaction picture DMQMC (IP-DMQMC) method that overcomes the limitation of only sampling one inverse temperature point at a time, instead allowing for the sampling of a temperature range within a single calculation, thereby reducing the computational cost. At the target inverse temperature, instead of ending the simulation, we incorporate a change of picture away from the interaction picture. The resulting equations of motion have piecewise functions and use the interaction picture in the first phase of a simulation, followed by the application of the Bloch equation once the target inverse temperature is reached. We find that the performance of this method is similar to or better than the DMQMC and IP-DMQMC algorithms in a variety of molecular test systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Characterization of one-dimensional molecular chains of 4,4′-biphenyl diisocyanide on Au(111) by scanning tunneling microscopy

The morphology and electronic structure of vapor deposited 4,4′-biphenyldiisocyanide (BPDI) on a Au(111) surface were investigated using variable-temperature scanning tunneling microscopy. When deposited at room temperature, BPDI molecules form one-dimensional molecular chains similar to that recently observed for the structurally related 1,4-phenyl diisocyanide (PDI). Compared to PDI, the longer periodicity for the BPDI molecular chains is consistent with the addition of a second phenyl ring and supports a structural model in which the BPDI molecules lie parallel to the surface and interconnected by Au-adatoms. The molecular chains are mostly aligned along the [11{sup -}0] direction of the Au(111) substrate, but exhibit frequent changes in angle that are consistent with directions between fcc and hcp three-fold hollow sites. Dispersion-corrected density functional theory calculations for one-dimensional chains of BPDI molecules bound end-to-end via their isocyanide groups to Au-adatoms reproduce the observed periodicity of the chains and show that this morphology is energetically favored over upright binding with one free —NC group. The spatially resolved conductance (dI/dV) map for BPDI on Au(111) exhibits a feature centered at −0.67 eV below the Fermi level which are delocalized along the chain with maxima at the Au-adatom and biphenyl positions. This occupied resonant feature is close to that previously observed for the PDI in both photoemission and conductance measurements and is attributed to an occupied interfacial state resulting from BPDI-Au interactions.

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

Interorbital nematicity and the origin of a single electron Fermi pocket in FeSe

The electronic structure of the enigmatic iron-based superconductor FeSe has puzzled researchers since spectroscopic probes failed to observe the expected electron pocket at the Y point in the 1-Fe Brillouin zone. It has been speculated that this pocket, essential for an understanding of the superconducting state, is either absent or incoherent. In this study, we perform a theoretical study of the preferred nematic order originating from nearest-neighbor Coulomb interactions in an electronic model relevant for FeSe. We find that at low temperatures the dominating nematic components are of interorbital d x z – d x y and d y z – d x y character, with spontaneously broken amplitudes for these two components. This interorbital nematic order naturally leads to distinct hybridization gaps at the X and Y points of the 1-Fe Brillouin zone, and may thereby produce highly anisotropic Fermi surfaces with only a single electron pocket at one of these momentum-space locations. The associated superconducting gap structure obtained with the generated low-energy electronic band structure from spin-fluctuation mediated pairing agrees well with that measured experimentally. Finally, from a comparison of the computed spin susceptibility to available neutron scattering data, we discuss the necessity of additional self-energy effects, and explore the role of orbital-dependent quasiparticle weights as a minimal means to include them.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

On the Energy Spectra of GeV/TeV Cosmic Ray Leptons

Recent observations of cosmic ray electrons from several instruments have revealed various degrees of deviation in the measured electron energy distribution from a simple power-law, in a form of an excess around 0.1 to 1 TeV energies. An even more prominent deviation and excess has been observed in the fraction of cosmic ray positrons around 10 and 100 GeV energies. These observations have received considerable attention and many theoretical models have been proposed to explain them. The models rely on either dark matter annihilation/decay or specific nearby astrophysical sources, and involve several additional assumptions regarding the dark matter distribution or particle acceleration. In this paper we show that the observed excesses in the electron spectrum may be easily reproduced without invoking any unusual sources other than the general diffuse Galactic components of cosmic rays. The model presented here assumes a power-law injection of electrons (and protons) by supernova remnants, and evaluates their expected energy spectrum based on a simple kinetic equation describing the propagation of charged particles in the interstellar medium. The primary physical effect involved is the Klein-Nishina suppression of the electron cooling rate around TeV energies. With a very reasonable choice of the model parameters characterizing the local interstellar medium, we can reproduce the most recent observations by Fermi and HESS experiments. Interestingly, in our model the injection spectral index of cosmic ray electrons becomes comparable to, or even equal to that of cosmic ray protons. The Klein-Nishina effect may also affect the propagation of the secondary e{sup {+-}} pairs, and therefore modify the cosmic ray positron-to-electron ratio. We have explored this possibility by considering two mechanisms for production of e{sup {+-}} pairs within the Galaxy. The first is due to the decay of {pi}{sup {+-}}'s produced by interaction of cosmic ray nuclei with ambient protons. The second source discussed here is due to the annihilation of the diffuse Galactic {gamma}-rays on the stellar photon field. We find that high positron fraction increasing with energy, as claimed by the PAMELA experiment, cannot be explained in our model with the conservative set of the model parameters. We are able, however, to reproduce the PAMELA (as well as Fermi and HESS) results assuming high values of the starlight and interstellar gas densities, which would be more appropriate for vicinities of supernova remnants. A possible solution to this problem may be that cosmic rays undergo most of their interactions near their sources due to the efficient trapping in the far upstream of supernova shocks by self-generated, cosmic ray-driven turbulence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗