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At least 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Generation of strong fields with subcritical density plasmas to study the phase transitions of magnetized warm dense matter

Warm dense matter (WDM) is a regime where Fermi degenerate electrons play an important role in the macroscopic properties of a material. Recent experiments have brought us closer to understanding unmagnetized processes in WDM, but magnetized WDM remains unexplored because kilotesla magnetic fields are required. Although there are examples of field compression generating such fields by imploding pre-magnetized targets, these existing methods give no independent control over the parameters of the magnetized plasma and result in limited laser access for sample creation and diagnosis. In this paper, numerical simulations show that kilotesla magnetic fields can be obtained by shining laser beams onto the inner surface of a cylindrical target, rather than on the outer surface. This approach relies on field compression by a low-density, high-temperature plasma, rather than a high-density, low-temperature plasma, used in the more conventional approach. With this novel configuration, the region of peak magnetic field is mostly free of plasma, hence, other beams can reach a sample placed in the region of the peak field to form WDM and diagnose it.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Prolonged duration of nonequilibrated Dirac fermions in neutral topological insulators

Topological insulators (TIs) possess spin-polarized Dirac fermions on their surface but their unique properties are often masked by residual carriers in the bulk. Recently, (Sb1-xBix)2Te3 was introduced as a non-metallic TI whose carrier type can be tuned from n to p across the charge neutrality point. By using time- and angle-resolved photoemission spectroscopy, we investigate the ultrafast carrier dynamics in the series of (Sb1-xBix)2Te3. The Dirac electronic recovery of ~10 ps at most in the bulkmetallic regime elongated to >400 ps when the charge neutrality point was approached. The prolonged nonequilibration is attributed to the closeness of the Fermi level to the Dirac point and to the high insulation of the bulk. We also discuss the feasibility of observing excitonic instability of (Sb1-xBix)2Te3.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Dimensional crossover and band topology evolution in ultrathin semimetallic NiTe 2 films

Nickel ditelluride (NiTe 2 ), a recently discovered Type-II Dirac semimetal with topological Dirac fermions near the Fermi energy, is expected to exhibit strong thickness-mediated electronic tunability and intrinsic two-gap superconductivity in the single-layer limit. Realizing such intriguing phenomena requires the fabrication of ultrathin NiTe 2 films and an understanding of the underlying physics that is still under debate. By conducting experimental band mappings of ultrathin films prepared with molecular beam epitaxy, we reveal spectroscopic evidence for the dimensionality crossover of single-crystalline ultrathin NiTe 2 films as a function of film thickness. As the film thickness increases from one to five layers, the gap in the conical topological surface states closes. Comparisons of experimental to first-principles results also highlight difficulties in fabricating atomically smooth single-layer NiTe 2 films. Our results not only provide further impetus for studying emergent phenomena in NiTe 2 but also underscore the limitations of fabricating NiTe 2 films for device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Exploring superconductivity at the edge of magnetic or structural instabilities

Modern research of condensed matters devotes in understanding how properties of complex solids are determined by their structural and electronic degrees of freedom. In the last decade, the discovery of Fe-based high-temperature superconductors as well as the discovery of protected surface state in bulk materials arising from the non-trivial topological electronic structures have brought revolutionary breakthroughs, advancing our understanding of the interplay of structure, band topology, spin and charge degrees of freedom to a new level. Despite the exciting progresses, significant materials challenges remain. To address such challenges, our research funded by this award focuses on the design, synthesis and property characterization of two types of quantum materials. One is quasi-two-dimensional materials with structural/magnetic instability, the other is topological materials, especially the “ideal” ones where only minimum non-trivial bands exist at the Fermi level. The objective of our research is to design quantum materials that lie at the edge of structural/magnetic instabilities as well as the ones with non-trivial band topology, aiming at the discovery of quantum materials with emergent phenomena and the in-depth understanding of the entanglement of band topology and various degrees of freedoms through thermodynamic, transport, X-ray, and neutron measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Significantly increased Raman enhancement on defect-rich O-incorporated 1T-MoS 2 nanosheets

Improving charge transfer is the key to the performance of non-noble metal semiconductor-based surface enhanced Raman scattering (SERS) substrates. In this work, the O-incorporated 1T-MoS 2 nanosheets with rich sulfur defects (ID-MoS 2 ) are obtained by simple calcination of 1T-MoS 2 nanosheets in air atmosphere. Using rhodamine 6G (R6G) as typical probe molecules, ID-MoS 2 nanosheets show ultrahigh Raman enhancement effects with an enhancement factor of 1.24 × 10 7 due to sulfur defects and O incorporation in the 1T-MoS 2 lattice. First-principle density functional theory calculations suggest that the existence of sulfur defects and O incorporation significantly increase the Fermi energy level (E f ) and electronic density of states of ID-MoS 2 . Furthermore, O incorporation can enhance the interactions between the substrate and the adsorbed molecules through electrostatic and hydrogen bonding. All these improve the charge transfer resonance and result in the remarkable SERS activity of ID-MoS 2 nanosheets. This is the first study on the increasing SERS performance of semiconductor substrates by simultaneously employing defect and dopant incorporation. This study provides an approach to optimize the performance of semiconductor-based SERS substrates.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Full spectrum light driven photocatalytic in-situ epitaxy of one-unit-cell Bi 2 O 2 CO 3 layers on Bi 2 O 4 nanocrystals for highly efficient photocatalysis and mechanism unveiling

In-situ epitaxial growth is a fascinating strategy to nicely couple two low dimensional semiconductors as highly efficient composite photocatalysts. Meanwhile, organic contaminants in the photocatalytic process are usually decomposed into greenhouse gas (CO 2 ) that can’t be reused. Herein, we reported a green full spectrum light (UV, visible and NIR lights) induced epitaxial growth strategy to synthesize highly efficient Bi 2 O 4 /Bi 2 O 2 CO 3 heterostructure photocatalyst by reusing waste carbon source, in which one-unit-cell Bi 2 O 2 CO 3 layers (1.0 nm) in-situ grew on the surface of Bi 2 O 4 nanocrystals during the photocatalytic degradation of rhodamine B (RhB) or phenol. More importantly, 13 C nuclear magnetic resonance (NMR) spectroscopy confirmed that the carbon element in Bi 2 O 2 CO 3 was from the photocatalytic degradation of organic contaminations. Furthermore, density functional theory (DFT) calculations confirm that the Bi 2 O 4 nanocrystals with exposed {-101} facets have the larger percentage of undercoordinated Bi atoms, which provided favorable conditions for the in-situ epitaxy of Bi 2 O 2 CO 3 during the photocatalytic reaction. Additionally, the increased charge density near the Fermi level resulted in improved photoresponsivity of Bi 2 O 4 /Bi 2 O 2 CO 3 composite and the coalescence of Bi 2 O 4 and Bi 2 O 2 CO 3 could favor the travel of photogenerated carriers from one to another owing to the close work functions for Bi 2 O 4 (4.295 eV) and Bi 2 O 2 CO 3 (4.410 eV). As we expected, the Bi 2 O 4 /Bi 2 O 2 CO 3 composite presented higher photocatalytic activity for phenol and ciprofloxacin (CIP) degradation than pure Bi 2 O 4 nanocrystals. The possible degradation pathway of CIP in aqueous solution and photocatalytic mechanism of Bi 2 O 4 /Bi 2 O 2 CO 3 composite were also proposed based on liquid chromatography mass spectrometer (LC–MS) analysis and experimental results. Furthermore, this work provides a green strategy for designing highly efficient photocatalysts.

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

Spin and Charge Interconversion in Dirac-Semimetal Thin Films

We use spin torque ferromagnetic resonance and ferromagnetic-resonance-driven spin pumping to detect spin-charge interconversion at room temperature in heterostructure devices that interface an archetypal Dirac semimetal, Cd 3 As 2 , with a metallic ferromagnet, Ni 0.80 Fe 0.20 (permalloy). Angle-resolved photoemission directly reveals the Dirac-semimetal nature of the samples prior to device fabrication and high-resolution transmission electron microscopy is used to characterize the crystalline structure and the relevant heterointerfaces. We find that the spin-charge interconversion efficiency in Cd 3 As 2 /permalloy heterostructures is comparable to that in heavy metals and that it is enhanced by the presence of an interfacial oxide. Spin torque ferromagnetic resonance measurements reveal an in-plane spin polarization regardless of an oxidized or pristine interface. We discuss the underlying mechanisms for spin-charge interconversion by comparing our results with first principles calculations and conclude that extrinsic mechanisms dominate the observed phenomena. Our results indicate a need for caution in interpretations of spin-transport and spin-charge conversion experiments in Cd 3 As 2 devices that seek to invoke the role of topological Dirac and Fermi arc states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Ferromagnetism in Gd doped ZnO nanowires: A first principles study

In several experimental studies, room temperature ferromagnetism in Gd-doped ZnO nanostructures has been achieved. However, the mechanism and the origin of the ferromagnetism remain controversial. We investigate the structural, magnetic, and electronic properties of Zn{sub 48}O{sub 48} nanowires doped with Gd, using density functional theory. Our findings indicate that substitutionally incorporated Gd atoms prefer occupying the surface Zn sites. Moreover, the formation energy increases with the distance between Gd atoms, signifying that no Gd-Gd segregation occurs in the nanowires within the concentration limit of ≤2%. Gd induces ferromagnetism in ZnO nanowires with magnetic coupling energy up to 21 meV in the neutral state, which increases with additional electron and O vacancy, revealing the role of carriers in magnetic exchange. The potential for achieving room temperature ferromagnetism and high T{sub C} in ZnO:Gd nanowires is evident from the large ferromagnetic coupling energy (200 meV) obtained with the O vacancy. Density of states shows that Fermi level overlaps with Gd f states with the introduction of O vacancy, indicating the possibility of s-f coupling. These results will assist in understanding experimental findings in Gd-doped ZnO nanowires.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Energy level alignment at molecule-metal interfaces from an optimally tuned range-separated hybrid functional

The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density functional theory calculations, especially those using local and semi-local functionals, often underestimate level alignment leading to inaccurate electronic structure and charge transport properties. Here, we develop a new fully self-consistent predictive scheme to accurately compute level alignment at certain classes of complex heterogeneous molecule-metal interfaces based on optimally tuned range-separated hybrid functionals. Starting from a highly accurate description of the gas-phase electronic structure, our method by construction captures important nonlocal surface polarization effects via tuning of the long-range screened exchange in a range-separated hybrid in a non-empirical and system-specific manner. We implement this functional in a plane-wave code and apply it to several physisorbed and chemisorbed molecule-metal interface systems. Our results are in quantitative agreement with experiments, the both the level alignment and work function changes. This approach constitutes a new practical scheme for accurate and efficient calculations of the electronic structure of molecule-metal interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Hot Hole Collection and Photoelectrochemical CO 2 Reduction with Plasmonic Au/p-GaN Photocathodes

Harvesting nonequilibrium hot carriers from plasmonic- metal nanostructures offers unique opportunities for driving photo- chemical reactions at the nanoscale. Despite numerous examples of hot electron-driven processes, the realization of plasmonic systems capable of harvesting hot holes from metal nanostructures has eluded the nascent field of plasmonic photocatalysis. In this work, we fabricate gold/p-type gallium nitride (Au/p-GaN) Schottky junctions tailored for photoelectrochemical studies of plasmon-induced hot-hole capture and conversion. Despite the presence of an interfacial Schottky barrier to hot-hole injection of more than 1 eV across the Au/p-GaN heterojunction, plasmonic Au/p-GaN photocathodes exhibit photoelectrochemical properties consistent with the injection of hot holes from Au nanoparticles into p- GaN upon plasmon excitation. The photocurrent action spectrum of the plasmonic photocathodes faithfully follows the surface plasmon resonance absorption spectrum of the Au nanoparticles and open-circuit voltage studies demonstrate a sustained photovoltage during plasmon excitation. Comparison with Ohmic Au/p-NiO heterojunctions confirms that the vast majority of hot holes generated via interband transitions in Au are sufficiently hot to inject above the 1.1 eV interfacial Schottky barrier at the Au/p-GaN heterojunction. We further investigated plasmon-driven photoelectrochemical CO 2 reduction with the Au/p-GaN photocathodes and observed improved selectivity for CO production over H 2 evolution in aqueous electrolytes. Taken together, our results offer experimental validation of photoexcited hot holes more than 1 eV below the Au Fermi level and demonstrate a photoelectrochemical platform for harvesting hot carriers to drive solar-to-fuel energy conversion.

36 MATERIALS SCIENCE↗
DOE OSTI2021

2D Mg-Cu Intermetallic Compounds with Nontrivial Band Topology and Dirac Nodal Lines

Synthesis of vertical heterostructures that include atomically thin layers of materials with topologically nontrivial energy bands is desirable for exploring exotic quantum states. In this study, the authors report on atomic-layer-by-layer deposition of magnesium on copper(111) surface by molecular beam epitaxy, monitored in situ by low-energy electron microscopy and diffraction, and modeled by ab initio theory. It is found that a 2D MgCu 2 intermetallic compound forms during initial Mg deposition and persists till a full monolayer of Mg is formed. Deposition of additional Mg triggers a phase transition from the commensurate MgCu 2 to an incommensurate Mg 2 Cu layer and enables growth of the second layer of Mg. Ab initio calculations indicate non-trivial topology of the electron bands in the interfacial Mg 2 Cu layer and the existence of Dirac nodal lines near the Fermi level. The new 2D Mg 2 Cu material emerges as a promising platform to study new topological states of matter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Evidence for unconventional superconductivity and nontrivial topology in PdTe

Abstract PdTe is a superconductor with T c ~ 4.25 K. Recently, evidence for bulk-nodal and surface-nodeless gap features has been reported in PdTe. Here, we investigate the physical properties of PdTe in both the normal and superconducting states via specific heat and magnetic torque measurements and first-principles calculations. Below T c , the electronic specific heat initially decreases in T 3 behavior (1.5 K < T < T c ) then exponentially decays. Using the two-band model, the superconducting specific heat can be well described with two energy gaps: one is 0.372 meV and another 1.93 meV. The calculated bulk band structure consists of two electron bands (α and β) and two hole bands (γ and η) at the Fermi level. Experimental detection of the de Haas-van Alphen (dHvA) oscillations allows us to identify four frequencies ( F α = 65 T, F β = 658 T, F γ = 1154 T, and F η = 1867 T for H // a ), consistent with theoretical predictions. Nontrivial α and β bands are further identified via both calculations and the angle dependence of the dHvA oscillations. Our results suggest that PdTe is a candidate for unconventional superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Multi-wavelength observations of the black widow pulsar 2FGL J2339.6-0532 with OISTER and Suzaku

Multi-wavelength observations of the black widow binary system 2FGL J2339.6-0532 are reported. The Fermi gamma-ray source 2FGL J2339.6-0532 was recently categorized as a black widow in which a recycled millisecond pulsar (MSP) is evaporating the companion star with its powerful pulsar wind. Our optical observations show clear sinusoidal light curves due to the asymmetric temperature distribution of the companion star. Assuming a simple geometry, we constrained the range of the inclination angle of the binary system to 52{sup ∘}<i<59{sup ∘}, which enables us to discuss the interaction between the pulsar wind and the companion in detail. The X-ray spectrum consists of two components: a soft, steady component that seems to originate from the surface of the MSP, and a hard, variable component from the wind-termination shock near the companion star. The measured X-ray luminosity is comparable to the bolometric luminosity of the companion, meaning that the heating efficiency is less than 0.5. In the companion orbit, 10{sup 11} cm from the pulsar, the pulsar wind is already in the particle-dominant stage with a magnetization parameter of σ<0.1. In addition, we precisely investigated the time variations of the X-ray periodograms and detected a weakening of the orbital modulation. The observed phenomenon may be related to unstable pulsar wind activity or weak mass accretion, both of which can result in the temporal extinction of the radio pulse.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1971

Infrared Absorption of Carbon Dioxide at High Densities With Application to the Atmosphere of Venus

Several new infrared absorptions were found in carbon dioxide. All are normally forbidden, and were collision-induced in an absorbing cell whose combination of pressure and path length has a unique sensitivity for induced absorptions. The new absorptions in the 2.3 micron region are attributed to transitions from ground to the 3(1)1 Fermi pair at 4248 and 4391/cm. Other absorptions are attributed to simultaneous CO2-N2 transitions and to the 00(0)0-00(0)2 transition in CO2 polarizability derivatives and regular progressions in strength versus increasing quantum number. The spectra were used to predict the radiative transfer in a dry CO2 model of the lower Venus atmosphere. The results indicate that the radiation balance in the lower atmosphere is adequately explained by a dry massive atmosphere of CO2 with a layer of infrared-opaque clouds. The absorptions in the 2.3 micron region are significant in accounting for the opacity to sustain Venus' 768 K surface temperature.

John Fitzallen Moore↗
NASA NTRS1999

Z-Scan Measurement of the Nonlinear Absorption of a Thin Gold Film

We have used the z-scan technique at a wavelength (532 nm) near the transmission window of bulk gold to measure the nonlinear absorption coefficient of continuous approximately 50-Angstrom-thick gold films, deposited onto surface-modified quartz substrates. For highly absorbing media such as metals, we demonstrate that determination of either the real or imaginary part of the third-order susceptibility requires a measurement of both nonlinear absorption and nonlinear refraction, i.e. both open- and closed-aperture z-scans must be performed. Closed-aperture z-scans did not yield a sufficient signal for the determination of the nonlinear refraction. However, open-aperture z-scans yielded values ranging from Beta = 1.9 x 10(exp -3) to 5.3 x 10(exp -3) cm/W in good agreement with predictions which ascribe the nonlinear response to a Fermi smearing mechanism. We note that the sign of the nonlinearity is reversed from that of gold nanoparticle composites, in accordance with the predictions of mean field theories.

Smith, David D.↗
NASA NTRS2010

New Neighbours: Modelling the Growing Population of gamma-ray Millisecond Pulsars

The Fermi Large Area Telescope, in collaboration with several groups from the radio community. have had marvelous success at uncovering new gamma-ray millisecond pulsars (MSPs). In fact, MSPs now make up a sizable fraction of the total number of known gamma-ray pulsars. The MSP population is characterized by a variety of pulse profile shapes, peak separations, and radio-to-gamma phase lags, with some members exhibiting nearly phase-aligned radio and gamma-ray light curves (LCs). The MSPs' short spin periods underline the importance of including special relativistic effects in LC calculations, even for emission originating from near the stellar surface. We present results on modelling and classification of MSP LCs using standard pulsar model geometries.

Venter, C.↗
DOE OSTI2019

Electronic Structure of a Graphene-like Artificial Crystal of NdNiO 3

Artificial complex-oxide heterostructures containing ultrathin buried layers grown along the pseudocubic [111] direction have been predicted to host a plethora of exotic quantum states arising from the graphene-like lattice geometry and the interplay between strong electronic correlations and band topology. To date, however, electronic-structural investigations of such atomic layers remain an immense challenge due to the shortcomings of conventional surface-sensitive probes, with typical information depths of a few Ångstroms. Here, we use a combination of bulk-sensitive soft x-ray angle-resolved photoelectron spectroscopy (SX-ARPES), hard x-ray photoelectron spectroscopy (HAXPES) and state-of-the-art first-principles calculations to demonstrate a direct and robust method for extracting momentum-resolved and angle-integrated valence-band electronic structure of an ultrathin buckled graphene-like layer of NdNiO 3 confined between two 4-unit cell-thick layers of insulating LaAlO 3 . The momentum-resolved dispersion of the buried Ni d states near the Fermi level obtained via SX-ARPES is in excellent agreement with the first-principles calculations and establishes the realization of an antiferro-orbital order in this artificial lattice. The HAXPES measurements reveal the presence of a valence-band (VB) bandgap of 265 meV. Lastly, our findings open a promising avenue for designing and investigating quantum states of matter with exotic order and topology in a few buried layers.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Cometary environments; Proceedings of Symposium 5, Workshop IV, and Topical Meeting of the 27th COSPAR Plenary Meeting, Espoo, Finland, July 18-29, 1988

Papers on the environment of comets are presented, covering topics such as constraints on the interstellar dust model of comet dust, dust particles and comet nuclei, models of cometary nuclei, subliming gas in the near-nuclear layer of the comet coma, the nucleus and rotation of Comet Halley, the surface albedo of comet nuclei, observational studies on Comet Halley, comet simulations, comet ion composition, and chemical abundances in comets. Additional topics include the O 1D and H2O production rate from comets, collisional coma models, the gas coma of Comet Giacobini-Zinner, IR properties of rough comet grains, studies of Comet Halley by Giotto, the impact of large dust particles on the Vega spacecraft, and carbonaceous materials as components of comet dust. Also, consideration is given to comet plasma boundaries, the comet ionopause, the solar wind-comet interaction, MHD turbulence and particle acceleration in a mass-loaded solar wind, combined first and second order Fermi acceleration at comets, discrete wave packets upstream from the earth and comets, and the visual appearance of comets under varying solar wind conditions.

Gombosi, T. I.↗