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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Electronic structure of (Ca{sub 0.85}La{sub 0.15})FeAs{sub 2}

We report a comprehensive study of orbital character and tridimensional nature of the electronic structure of (Ca{sub 0.85}La{sub 0.15})FeAs{sub 2} from recently discovered “112” family of Iron-based superconductors (IBS), with angle-resolved photoemission spectroscopy. We observed that the band structure is similar to that of “122” family, namely, there are three hole-like bands at the Brillouin zone (BZ) center and two electron-like bands at the BZ corner. The bands near the Fermi level (E{sub F}) are mainly derived from the Fe t{sub 2g} orbitals. On the basis of our present and earlier studies, we classify IBS into the three types according to their crystal structures. We show that although the bands near E{sub F} mainly originate from Fe 3d electrons, they are significantly modified by the interaction between the superconducting slabs and the intermediate atoms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effect of Pressure on the Electronic, Magnetic, and Optical Properties of the In{sub 0.75}Cr{sub 0.25}P Compound

Using the density functional theory (DFT) approach and full-potential linearized augmented plane waves (FP-LAPW) method, some of the electronic (density of states, band structure, and Fermi surfaces), magnetic (total and local magnetic moments, spin polarization, exchange constants), and optical properties (dielectric function, energy loss function, and refractive index) were investigated. The GGA + U approximation was used for the exchange-correlation term. The effect of hydrostatic pressure up to 20 GP has been studied on these properties. The results show that the In{sub 0.75}Cr{sub 0.25}P compound is a half metal with 100% spin polarization at the Fermi level and the increment of pressure does not change its half-metallic behavior. The half-metal gap achieved for this compound is variable between 1.38 and 1.5 eV. The interaction between Cr and P atoms in this compound is an anti-ferromagnetic type. It was observed that the total magnetic moment for this compound is about 3 μ{sub B}. Local magnetic moments change with increasing pressure, but the total magnetic moment remains unaffected by increasing the pressure. Calculations of the optical properties of the In{sub 0.75}Cr{sub 0.25}P compound showed that the dominant mechanism for the low-energy photons is due to the induced free carriers of the Cr atom, and the optical properties of this compound, in particular the refractive index in the visible region, change with increasing pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Renormalization-group approach to Kohn-Luttinger superconductivity: Amplification of the pairing gap from ℓ 4 to ℓ

Here, we revisit the renormalization group (RG) analysis of the Kohn-Luttinger (KL) mechanism for superconductivity. The KL mechanism leads to superconductivity in a system with a repulsive bare interaction. The key ingredient is the screening effect that renders the induced interaction attractive in channels with nonzero angular momentum ℓ ≠ 0, thereby triggering the Bardeen-Cooper-Schrieffer (BCS) instability. According to the original argument, the resulting gap is exponentially small, with its exponent scaling as −ℓ 4 . However, the KL mechanism was originally formulated within perturbation theory, where the series is known to converge poorly in certain cases—most notably, for the 𝑝-wave paring gap induced by a repulsive 𝑠-wave contact interaction. This poor convergence may be attributed to a divergent integrand in a specific class of diagrams containing both the BCS logarithm and the Kohn anomaly, suggesting that one must resum the Kohn anomaly contributions separately from the BCS logarithm. In this work, we incorporate the Kohn anomaly contribution into the 𝛽 function of the RG equation governing the BCS instability near the Fermi surface. Our solution shows that the KL gap exponent is then proportional to −ℓ, indicating a significant enhancement of the KL mechanism beyond the previously known result. To illustrate this, we study the spin-triplet 𝑝-wave pairing gap arising from a repulsive 𝑠-wave contact interaction and compare our RG-based results with those obtained from the Bethe-Salpeter equation in perturbation theory.

nuclear matter in neutron stars↗
DOE OSTI2017

Computational Dissection of Two-Dimensional Rectangular Titanium Mononitride TiN: Auxetics and Promises for Photocatalysis

Recently, two-dimensional (2D) transition-metal nitrides have triggered an enormous interest for their tunable mechanical, optoelectronic, and magnetic properties, significantly enriching the family of 2D materials. Here, by using a broad range of first-principles calculations, we report a systematic study of 2D rectangular materials of titanium mononitride (TiN), exhibiting high energetic and thermal stability due to in-plane d–p orbital hybridization and synergetic out-of-plane electronic delocalization. The rectangular TiN monolayer also possesses enhanced auxeticity and ferroelasticity with an alternating order of Possion’s Ratios, stemming from the competitive interactions of intra- and inter- Ti—N chains. Such TiN nanosystem is a n-type metallic conductor with specific tunable pseudogaps. Halogenation of TiN monolayer downshifts the Fermi level, achieving the optical energy gap up to 1.85 eV for TiNCl(Br) sheet. Overall, observed electronic features suggest that the two materials are potential photocatalysts for water splitting application. Furthermore, these results extend emerging phenomena in a rich family 2D transition-metal-based materials and hint for a new platform for the next-generation functional nanomaterials.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Electron-exchange effects on the charge capture process in degenerate quantum plasmas

The electron-exchange effects on the charge capture process are investigated in degenerate quantum plasmas. The Bohr-Lindhard formalism with the effective interaction potential is employed to obtain the charge capture radius, capture probability, and capture cross section as functions of the impact parameter, projectile energy, electron-exchange parameter, Fermi energy, and plasmon energy. The result shows that the electron-exchange effect enhances the charge capture radius and the charge capture cross section in semiconductor quantum plasmas. It is also found that the charge capture radius and charge capture cross section increases with an increase of the Fermi energy and, however, decreases with increasing plasmon energy. Additionally, it is found that the peak position of the charge capture cross section is receded from the collision center with an increase of the electron-exchange parameter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Decoupled electron and phonon transports in hexagonal boron nitride-silicene bilayer heterostructure

Calculations based on the density functional theory and empirical molecular dynamics are performed to investigate interlayer interaction, electronic structure and thermal transport of a bilayer heterostructure consisting of silicene and hexagonal boron nitride (h-BN). In this heterostructure, the two layers are found to interact weakly via a non-covalent binding. As a result, the Dirac cone of silicene is preserved with the Dirac cone point being located exactly at the Fermi level, and only a small amount of electrons are transferred from h-BN to silicene, suggesting that silicene dominates the electronic transport. Molecular dynamics calculation results demonstrate that the heat current along h-BN is six times of that along silicene, suggesting that h-BN dominates the thermal transport. This decoupled role of h-BN and silicene in thermal and electronic transport suggests that the BN-silicene bilayer heterostructure is promising for thermoelectric applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

A compact, low-power epithermal neutron counter for lunar water detection

The detection and characterization of lunar water are critical for enabling sustainable human and robotic exploration of the Moon. Orbital neutron spectrometers, such as instruments on Lunar Prospector and the Lunar Reconnaissance Orbiter, have revealed hydrogen-rich regions near the poles but are limited by coarse spatial resolution and low counting efficiency. We present a compact, lightweight, and low-power epithermal neutron detector based on boron-coated silicon imagers, designed to probe subsurface hydrogen at decimeter scales from mobile platforms such as lunar rovers. This instrument leverages the high neutron capture cross-section of 10 B to convert epithermal neutrons into detectable α and 7 Li ions in a fully-depleted silicon imager, providing a unique event topology to identify neutrons while suppressing backgrounds. Monte Carlo simulations demonstrate that a 3 μm boron layer achieves optimal neutron detection efficiency, further enhanced with polyethylene moderation to improve sensitivity to the 0.4 eV–500 keV epithermal energy range. For a 10 cm 2 active area, the detector achieves sensitivity to H 2 O weight fractions as low as 0.01 wt% in a 15 minute measurement. This scalable, portable, low-mass design is well-suited for integration into upcoming Artemis and commercial lunar rovers, providing a transformative capability for in-situ resource prospecting and ground-truth validation of orbital measurements.

Detector modelling and simulations I (interaction ↗
DOE OSTI2019

Helical magnetic ordering in Sr ( Co 1 - x Ni x ) 2 As 2

SrCo 2 As 2 is a peculiar itinerant magnetic system that does not order magnetically, but inelastic neutron-scattering experiments observe the same stripe-type antiferromagnetic (AF) fluctuations found in many of the Fe-based superconductors along with evidence of magnetic frustration. Here we present results from neutron diffraction measurements on single crystals of Sr(Co 1-x Ni x ) 2 As 2 that show the development of long-range AF order with Ni doping. However, the AF order is not stripe type. Rather, the magnetic structure consists of ferromagnetically aligned (FM) layers (with moments laying in the layer) that are AF arranged along c with an incommensurate propagation vector of (0 0 τ), i.e., a helix. Using high-energy x-ray diffraction, we find no evidence for a temperature-induced structural phase transition that would indicate a collinear AF order. This finding supports a picture of competing FM and AF interactions within the square transition-metal layers due to flat-band magnetic instabilities. However, the composition dependence of the propagation vector suggests that far more subtle Fermi surface and orbital effects control the interlayer magnetic correlations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Electronic origin of half-metal to semiconductor transition and colossal magnetoresistance in spinel HgCr 2 Se 4

Half metals are ferromagnets hosting spin-polarized conducting carriers and are crucial for spintronics applications. The chromium spinel HgCr 2 Se 4 represents a unique type of half-metal, which features a half-metal to semiconductor transition (HMST) and exhibits colossal magnetoresistance (CMR) across the ferromagnetic-paramagnetic (FM-PM) transition. Here, using angle-resolved photoemission spectroscopy, we find that the Fermi surface of n-type HgCr 2 Se 4 (n–HgCr 2 Se 4 ) consists of a single electron pocket which moves above the Fermi level (E F ) upon the FM-PM transition, leading to the HMST. Such a Lifshitz transition manifests a giant band splitting which originates from the exchange interaction unveiled with a specific chemical nonstoichiometry. The exchange band splitting and the chemical nonstoichiometry are two key ingredients to the HMST and CMR, consistent with our ab initio calculation. Our findings provide spectroscopic evidence of the electronic origin of the anomalous properties of HgCr 2 Se 4 , which address the unique phase transition in half-metals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

The electronic states of ITO–MoS2: Experiment and theory

Abstract We report a combination of experimental results with density functional theory (DFT) calculations to understand electronic structure of indium tin oxide and molybdenum disulfide (ITO–MoS 2 ) interface. Our results indicate ITO and MoS 2 conform an n-type Schottky barrier of c.a. − 1.0 eV due to orbital interactions; formation of an ohmic contact is caused by semiconducting and metal behavior of ITO as a function of crystal plane orientation. ITO introduces energy levels around the Fermi level in all interface models in the Γ-Μ-Κ-Γ path. The resulted Van der Waals interface and the values of Schottky barrier height enhance electron carrier injection. Graphical abstract

López-Galán, Oscar A. (ORCID:0000000292912562)↗
DOE OSTI2019

MEASUREMENT OF THE CHARGED-CURRENT INCLUSIVE ELECTRON NEUTRINO AND ELECTRON ANTINEUTRINO CROSS SECTION USING THE MICROBOONE DETECTOR IN THE NUMI BEAM

Detection of electron neutrino appearance is the process by which modern neutrino experiments seek to answer the open questions in neutrino physics: CP-violation in the neutrino sector, the neutrino mass ordering, and sterile neutrino oscillations. To date, only three measurements of electron neutrino cross sections have been performed. The analysis presented in this thesis describes the extraction of the first charged-current inclusive $\nu_e$ + $\bar{\nu}_e$ cross section on argon. This calculation was performed with data collected by the MicroBooNE liquid argon time projection chamber using neutrinos from the Neutrino Main Injector (NuMI) beam located at the Fermi National Accelerator Laboratory. Extraction of this cross section is enabled by the first fully-automated inclusive selection of $\nu_e$ + $\bar{\nu}_e$ charged-current interactions in a liquid argon time projection chamber, which provided the largest sample of $\nu_e$ + $\bar{\nu}_e$ charged-current interactions ever observed in liquid argon. The selection utilises the signature capabilities of liquid argon, such as distinguishing electron-like and photon-like electromagnetic showers using their charge-deposition profiles (dE/dx). The evaluation of systematic effects influencing the final cross section, including detector simulation and flux simulation uncertainties, which have been applied for the first time to a MicroBooNE analysis using neutrinos from the NuMI beam, is also presented. The total impact of all systematic and statistical effects results in a 38.44\% uncertainty on the flux integrated cross section, giving $\sigma_{\nu_{e}~+~\bar{\nu}_e} = 4.67 \pm 1.01 \textrm{(stat)} \pm 1.48 \textrm{(sys)} \times 10^{-39}$ cm$^{2}$ per nucleon as the final result, which is in agreement with theoretical predictions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2010

Derivation of a Relation for the Steepening of TeV Selected Blazar Gamma-Ray Spectra with Energy and Redshift

We derive a relation for the steepening of blazar gamma-ray spectra between the multi-GeV Fermi energy range and the TeV energy range observed by atmospheric Cerenkov telescopes. The change in spectral index is produced by two effects: (1) an intrinsic steepening, independent of redshift, owing to the properties of emission and absorption in the source, and (2) a redshift-dependent steepening produced by intergalactic pair production interactions of blazar gamma-rays with low energy photons of the "intergalactic background light" (IBL). Given this relation, with good enough data on the mean gamma-ray SED of TeV Selected BL Lacs, the redshift evolution of the IBL can, in principle, be determined independently of stellar evolution models. We apply our relation to the results of new Fermi observations of TeV selected blazars.

Stecker, F.↗
DOE OSTI2022

Flavour-selective localization in interacting lattice fermions

Abstract A large repulsion between particles in a quantum system can lead to their localization, an effect responsible for the Mott insulator phases in strongly correlated materials. In a system with multiple orbitals, an orbital-selective Mott insulator can form, where electrons in some orbitals are predicted to localize while others remain itinerant. Here we demonstrate a more general version of this phenomenon by observing flavour-selective localization in an atom-based quantum simulator. Our experiment realizes Fermi–Hubbard models with an SU(3) symmetry that can be broken using a tunable coupling between flavours. We observe an enhancement of the localization associated with a selective Mott transition and the emergence of flavour-dependent correlations. Our realization of flavour-selective Mott physics demonstrates the potential of cold atoms to simulate interacting multicomponent materials such as superconductors and topological insulators.

Physics↗
DOE OSTI2020

Autoionization and Dressing of Excited Excitons by Free Carriers in Monolayer WSe 2

We experimentally demonstrate dressing of the excited exciton states by a continuously tunable Fermi sea of free charge carriers in a monolayer semiconductor. It represents an unusual scenario of two-particle excitations of charged excitons previously inaccessible in conventional material systems. We identify excited state trions, accurately determine their binding energies in the zero-density limit for both electron- and hole-doped regimes, and observe emerging many-body phenomena at elevated doping. Combining experiment and theory we gain access to the intra-exciton coupling facilitated by the interaction with free charge carriers. We provide evidence for a process of autoionization for quasiparticles, a unique scattering pathway available for excited states in atomic systems. Finally, we demonstrate a complete transfer of the optical transition strength from the excited excitons to dressed Fermi-polaron states as well as the associated light emission from their nonequilibrium populations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Confronting Dark Matter with the Multiwavelength Sky (Final Technical Report)

The existence of dark matter is a key clue to new fundamental physics, yet its nature and non-gravitational interactions remain mysterious. In the course of this five-year project (spanning July 2015 - July 2020), we have developed novel analysis techniques to separate dark matter signals from astrophysical backgrounds in the inner Galaxy, and measured hitherto-unknown properties of the Fermi Bubbles and the Galactic Center excess in gamma-rays from the inner Milky Way. We have improved predictions for the spatial distribution and energy spectra of photon signals from dark matter, and set new limits from astrophysical and cosmological datasets on dark matter inhabiting complex dark sectors, multi-particle dark matter annihilation, and tiny primordial black holes. We have successfully adapted effective field theory techniques from collider physics to make high-precision predictions for signals from heavy weakly-interacting DM, allowing us to essentially exclude the possibility that DM is a thermal wino, and have discovered novel theoretical and observational implications for dark matter bound states and self-interactions. We have developed a comprehensive public code package for modeling the effects of exotic energy injections, such as from dark matter annihilation and decay, on the ionization and temperature history of the early cosmos, and have used these tools to set robust, powerful and broadly-applicable constraints on models of light dark matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Constraints on the Gamma-Ray Emission from Small Solar System Bodies with the Fermi Large Area Telescope Data

All known small solar system bodies have diameters between a few meters and a few thousands of kilometers. Based on the collisional evolution of solar system bodies, a larger number of asteroids with diameters down to ~2 m is thought to exist. As all solar system bodies, small bodies can be passive sources of high-energy gamma-rays, produced by the interaction of energetic cosmic rays impinging on their surfaces. Since the majority of known asteroids are in orbits between Mars and Jupiter (in a region known as the Main Belt), we expect them to produce a diffuse emission close to the ecliptic plane. In this work, we have studied the gamma-ray emission coming from the ecliptic using the data collected by the Large Area Telescope (LAT) onboard the Fermi satellite. We have fit the results with simulations of the gamma-ray intensity at the source level (calculated with the software FLUKA) to constrain the small solar system bodies population. Finally, we have proposed a model describing the distribution of asteroid sizes and we have used the LAT data to constrain the gamma-ray emission expected from this model and, in turn, on the model itself.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

FERMI-LAT OBSERVATIONS OF HIGH-ENERGY γ-RAY EMISSION TOWARD THE GALACTIC CENTER

The Fermi Large Area Telescope (LAT) has provided the most detailed view to date of the emission toward the Galactic center (GC) in high-energy γ-rays. This paper describes the analysis of data taken during the first 62 months of the mission in the energy range 1–100 GeV from a 15° × 15° region about the direction of the GC. Specialized interstellar emission models (IEMs) are constructed to enable the separation of the γ-ray emissions produced by cosmic ray particles interacting with the interstellar gas and radiation fields in the Milky Way into that from the inner ∼1 kpc surrounding the GC, and that from the rest of the Galaxy. A catalog of point sources for the 15° × 15° region is self-consistently constructed using these IEMs: the First Fermi-LAT Inner Galaxy Point Source Catalog (1FIG). The spatial locations, fluxes, and spectral properties of the 1FIG sources are presented, and compared with γ-ray point sources over the same region taken from existing catalogs. After subtracting the interstellar emission and point-source contributions a residual is found. If templates that peak toward the GC are used to model the positive residual the agreement with the data improves, but none of the additional templates tried account for all of its spatial structure. The spectrum of the positive residual modeled with these templates has a strong dependence on the choice of IEM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Excitonic Mott insulator in a Bose-Fermi-Hubbard system of moiré WS 2 /WSe 2 heterobilayer

Understanding the Hubbard model is crucial for investigating various quantum many-body states and its fermionic and bosonic versions have been largely realized separately. Recently, transition metal dichalcogenides heterobilayers have emerged as a promising platform for simulating the rich physics of the Hubbard model. In this work, we explore the interplay between fermionic and bosonic populations, using a WS 2 /WSe 2 heterobilayer device that hosts this hybrid particle density. We independently tune the fermionic and bosonic populations by electronic doping and optical injection of electron-hole pairs, respectively. This enables us to form strongly interacting excitons that are manifested in a large energy gap in the photoluminescence spectrum. The incompressibility of excitons is further corroborated by observing a suppression of exciton diffusion with increasing pump intensity, as opposed to the expected behavior of a weakly interacting gas of bosons, suggesting the formation of a bosonic Mott insulator. We explain our observations using a two-band model including phase space filling. Our system provides a controllable approach to the exploration of quantum many-body effects in the generalized Bose-Fermi-Hubbard model.

36 MATERIALS SCIENCE↗