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DOE OSTI2020

Observation of High-Energy Electrons Precipitated by NWC Transmitter From PROBA-V Low-Earth Orbit Satellite

The very low-frequency transmitter in the Northwest Cape of Australia (NWC) has previously been observed to pitch-angle scatter electrons with energies from 30–400 keV, creating enhanced fluxes measured by low-Earth orbiting (LEO) satellites. Here we use observations from the Energetic Particle Telescope on PROBA-V. We compare the measured flux, as a function of local magnetic field strength, when the NWC transmitter is “on” versus “off,” and find enhanced fluxes only when NWC is “on” and located on the nightside. The enhanced fluxes occur in the population gradually transitioning from “permanently trapped” to “quasi-trapped.” We show that electrons up to 800 keV, substantially higher energy than previously studied, are scattered by resonant interactions with NWC to produce enhanced fluxes. The enhanced fluxes appear at multiple L-shells for each energy channel, consistent with resonance conditions at distinct wave normal angles, that indicate ducted interactions at L < 1.55 and unducted interactions at L > 1.65.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Unconventional surface state pairs in a high-symmetry lattice with anti-ferromagnetic band-folding

Many complex magnetic structures in a high-symmetry lattice can arise from a superposition of well-defined magnetic wave vectors. These “multi-q” structures have garnered much attention because of interesting real-space spin textures such as skyrmions. However, the role multi-q structures play in the topology of electronic bands in momentum space has remained rather elusive. Here we show that the type-I anti-ferromagnetic 1q, 2q and 3q structures in an face-centered cubic sublattice with band inversion, such as NdBi, can induce unconventional surface state pairs inside the band-folding hybridization bulk gap. Our density functional theory calculations match well with the recent experimental observation of unconventional surface states with hole Fermi arc-like features and electron pockets below the Neel temperature. We further show that these multi-q structures have Dirac and Weyl nodes. Our work reveals the special role that band-folding from anti-ferromagnetism and multi-q structures can play in developing new types of surface states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Dirac nodal arc in 1T-VSe 2

Transition metal dichalcogenides exhibit many fascinating properties including superconductivity, magnetic orders, and charge density wave. The combination of these features with a non-trivial band topology opens the possibility of additional exotic states such as Majorana fermions and quantum anomalous Hall effect. Here, we report on photon-energy and polarization dependent spin-resolved angle-resolved photoemission spectroscopy experiments on single crystal 1T-VSe 2 , revealing an unexpected band inversion and emergent Dirac nodal arc with spin-momentum locking. Density functional theory calculations suggest a surface lattice strain could be the driving mechanism for the topologically nontrivial electronic structure of 1T-VSe 2 .

36 MATERIALS SCIENCE↗

DOE OSTI2017

A comparison of non-local electron transport models for laser-plasmas relevant to inertial confinement fusion

Here, we compare the reduced non-local electron transport model developed to Vlasov-Fokker-Planck simulations. Two new test cases are considered: the propagation of a heat wave through a high density region into a lower density gas, and a one-dimensional hohlraum ablation problem. We find that the reduced model reproduces the peak heat flux well in the ablation region but significantly over-predicts the coronal preheat. The suitability of the reduced model for computing non-local transport effects other than thermal conductivity is considered by comparing the computed distribution function to the Vlasov-Fokker-Planck distribution function. It is shown that even when the reduced model reproduces the correct heat flux, the distribution function is significantly different to the Vlasov-Fokker-Planck prediction. Two simple modifications are considered which improve agreement between models in the coronal region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

One-dimensional Rashba states with unconventional spin texture in Bi chains

Spin-polarized electrons confined in low-dimensional structures are of high interest for spintronics applications. Here, in this study, we investigate the electronic structure of an ordered array of Bi monomer and dimer chains on the Ag(110) surface. By means of spin-resolved photoemission spectroscopy, we find Rashba-Bychkov split bands crossing the Fermi level with one-dimensional constant energy contours. These bands are up-spin polarized for positive wave vectors and down-spin polarized for negative wave vectors, at variance with the Rashba-Bychkov model that predicts a pair of states with opposite spin in each half of the surface Brillouin zone. Density functional theory shows that spin-selective hybridization with the Ag bulk bands originates this unconventional spin texture.

1-dimensional spin chains↗

DOE OSTI2018

Terahertz rectification in ring-shaped quantum barriers

Tunneling is the most fundamental quantum mechanical phenomenon with wide-ranging applications. Matter waves such as electrons in solids can tunnel through a one-dimensional potential barrier, e.g. an insulating layer sandwiched between conductors. A general approach to control tunneling currents is to apply voltage across the barrier. Here, we form closed loops of tunneling barriers exposed to external optical control to manipulate ultrafast tunneling electrons. Eddy currents induced by incoming electromagnetic pulses project upon the ring, spatiotemporally changing the local potential. The total tunneling current which is determined by the sum of contributions from all the parts along the perimeter is critically dependent upon the symmetry of the loop and the polarization of the incident fields, enabling full-wave rectification of terahertz pulses. By introducing global geometry and local operation to current-driven circuitry, our work provides a novel platform for ultrafast optoelectronics, macroscopic quantum phenomena, energy harvesting, and multi-functional quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1981

Temperature anisotropy instabilities driven by Whang's ion model

The behavior of four temperature anisotropy instabilities in a single-component space plasma is investigated theoretically using the solar wind model (i.e., heat flux modified non-Maxwellian velocity distribution functions) proposed by Whang (1972). The linear dispersion properties are studied in an infinite Vlasov plasma where the proton distribution is assumed to consist of one warm slow-speed component and where the electron background is isotropic. It is shown that the fire hose, mirror, and Harris instability do not occur under these conditions, and that only the ion cyclotron instability is of importance in Whang's ion model. Growth rates are shown to have values between 0.021 and 0.00011. Increasing temperature anisotropy causes the range frequencies where wave particle interaction occurs to be shifted toward the ion gyrofrequency.

Leubner, M. P.↗

NASA NTRS1981

The formation of arcs in the dynamic spectra of Jovian decameter bursts

A model is presented that accounts for several features of the dynamic spectral arcs observed at decameter wavelengths by the planetary radio astronomy experiment on Voyagers 1 and 2. It is shown that refraction of an extraordinary mode wave initially excited and nearly orthogonal to the local magnetic field is significantly influenced by the local plasma density. The source of the radiation is on the L = 6 flux, and the emission cone angle of the sheet is chosen to vary with frequency so that it is relatively small at both high and low frequencies while about 80 deg at intermediate frequencies. This functional dependence of cone angle on frequency appears to be consistent with estimates of refraction of the ordinary mode in a source region where the electron density is greater than a few hundred per cu cm.

Goldstein, M. L.↗

NASA NTRS1987

Observation of millimeter-wave oscillations from resonant tunneling diodes and some theoretical considerations of ultimate frequency limits

Recent observations of oscillation frequencies up to 56 GHz in resonant tunneling structures are discussed in relation to calculations by several authors of the ultimate frequency limits of these devices. It is found that calculations relying on the Wentzel-Kramers-Brillouin (WKB) approximation give limits well below the observed oscillation frequencies. Two other techniques for calculating the upper frequency limit were found to give more reasonable results. One method employs the solution of the time-dependent Schroedinger equation obtained by Kundrotas and Dargys (1986); the other uses the energy width of the transmission function for electrons through the double-barrier structure. This last technique is believed to be the most accurate since it is based on general results for the lifetime of any resonant state. It gives frequency limits on the order of 1 THz for two recently fabricated structures. It appears that the primary limitation of the oscillation frequency for double-barrier resonant-tunneling diodes is imposed by intrinsic device circuit parameters and by the transit time of the depletion layer rather than by time delays encountered in the double-barrier region.

Sollner, T. C. L. G.↗

NASA NTRS2000

Theoretical Technology Research for ISTP/SOLARMAX

During the last decade, we have been developing theoretical tools to support the scientific objectives of the International Solar Terrestrial Physics (ISTP) program. Results from our mission-oriented theory program have contributed significantly to the development of predictive capabilities by using real upstream solar wind conditions as input to our models and forecasting events observed downstream near Earth. We also developed the capability to unravel the complex information contained in ion velocity distribution functions measured near the Earth to determine their origin and energization process. During solar maximum, solar flares and coronal mass ejections (CMEs) dominate the sun's activity. It is now widely accepted that the impact of CMEs (or magnetic clouds) with the Earth's magnetosphere is the cause of most magnetic storms during solar maximum. One important aspect of a CME is the occurrence of solar energetic particle (SEP) events. During these events, protons, electrons, and heavy ions of solar origin are accelerated to very high energies by shock waves driven out from the sun. We carried out a series of large-scale kinetic (LSK) simulations to model the effect of SEPs on the near-Earth environment and the accessibility of these high-energy particles to the inner magnetosphere. We present the results of these studies.

Ashour-Abdalla, Maha↗

DOE OSTI2023

The Migdal effect in semiconductors for dark matter with masses below ~ 100 MeV

Dark matter scattering off a nucleus has a small probability of inducing an observable ionization through the inelastic excitation of an electron, called the Migdal effect. We use an effective field theory to extend the computation of the Migdal effect in semiconductors to regions of small momentum transfer to the nucleus, where the final state of the nucleus is no longer well described by a plane wave. Our analytical result can be fully quantified by the measurable dynamic structure factor of the semiconductor, which accounts for the vibrational degrees of freedom (phonons) in a crystal. We show that, due to the sum rules obeyed by the structure factor, the inclusive Migdal rate and the shape of the electron recoil spectrum is well captured by approximating the nuclei in the crystal as free ions; however, the exclusive differential rate with respect to energy depositions to the crystal depends on the phonon dynamics encoded in the dynamic structure function of the specific material. Our results now allow the Migdal effect in semiconductors to be evaluated even for the lightest dark matter candidates (m χ ≳ 1 MeV) that can kinematically excite electrons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Spatially inhomogeneous competition between superconductivity and the charge density wave in YBa 2 Cu 3 O 6.67

The charge density wave in the high-temperature superconductor YBa 2 Cu 3 O 7-x (YBCO) has two different ordering tendencies differentiated by their c-axis correlations. These correspond to ferro- (F-CDW) and antiferro- (AF-CDW) couplings between CDWs in neighbouring CuO 2 bilayers. This discovery has prompted several fundamental questions: how does superconductivity adjust to two competing orders and are either of these orders responsible for the electronic reconstruction? Here we use x-ray diffraction to study YBa 2 Cu 3 O 6.67 as a function of magnetic field and temperature. We show that regions with F-CDW correlations suppress superconductivity more strongly than those with AF-CDW correlations. This implies that an inhomogeneous superconducting state exists, in which some regions show a fragile form of superconductivity. By comparison of F-CDW and AF-CDW correlation lengths, it is concluded that F-CDW ordering is sufficiently long-range to modify the electronic structure. Our study thus suggests that F-CDW correlations impact both the superconducting and normal state properties of YBCO.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Two-dimensional overdamped fluctuations of the soft perovskite lattice in CsPbBr 3

Lead halide perovskites exhibit structural instabilities and large atomic fluctuations thought to impact their optical and thermal properties, yet detailed structural and temporal correlations of their atomic motions remain poorly understood. Here, these correlations are resolved in CsPbBr 3 crystals using momentum-resolved neutron and X-ray scattering measurements as a function of temperature, complemented with first-principles simulations. We uncover a striking network of diffuse scattering rods, arising from the liquid-like damping of low-energy Br-dominated phonons, reproduced in our simulations of the anharmonic phonon self-energy. Here, these overdamped modes cover a continuum of wave vectors along the edges of the cubic Brillouin zone, corresponding to two-dimensional sheets of correlated rotations in real space, and could represent precursors to proposed two-dimensional polarons. Further, these motions directly impact the electronic gap edge states, linking soft anharmonic lattice dynamics and optoelectronic properties. These results provide insights into the highly unusual atomic dynamics of halide perovskites, relevant to further optimization of their optical and thermal properties.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Ultrafast electron diffraction: Visualizing dynamic states of matter

Since the discovery of electron-wave duality, electron scattering instrumentation has developed into a powerful array of techniques for revealing the atomic structure of matter. Beyond detecting local lattice variations in equilibrium structures with the highest possible spatial resolution, recent research efforts have been directed toward the long-sought-after dream of visualizing the dynamic evolution of matter in real time. The atomic behavior at ultrafast timescales carries critical information on phase transition and chemical reaction dynamics, the coupling of electronic and nuclear degrees of freedom in materials and molecules, and the correlation among structure, function, and previously hidden metastable or nonequilibrium states of matter. Ultrafast electron pulses play an essential role in this scientific endeavor, and their generation has been facilitated by rapid technical advances in both ultrafast laser and particle accelerator technologies. Here this review presents a summary of the noteworthy developments in this field in the last few decades. The physics and technology of ultrafast electron beams is presented with an emphasis on the figures of merit most relevant for ultrafast electron diffraction experiments. Recent developments in the generation, manipulation, and characterization of ultrashort electron beams aimed at improving the combined spatiotemporal resolution of these measurements are discussed. The fundamentals of electron scattering from atomic matter and the theoretical frameworks for retrieving dynamic structural information from solid-state and gas-phase samples is described. Essential experimental techniques and several landmark works that have applied these approaches are also highlighted to demonstrate the widening applicability of these methods. Ultrafast electron probes with ever-improving capabilities, combined with other complementary photon-based or spectroscopic approaches, hold tremendous potential for revolutionizing our ability to observe and understand energy and matter at atomic scales.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Performance Enhancement of APW+lo Calculations by Simplest Separation of Concerns

Full-potential linearized augmented plane wave (LAPW) and APW plus local orbital (APW+lo) codes differ widely in both their user interfaces and in capabilities for calculations and analysis beyond their common central task of all-electron solution of the Kohn–Sham equations. However, that common central task opens a possible route to performance enhancement, namely to offload the basic LAPW/APW+lo algorithms to a library optimized purely for that purpose. To explore that opportunity, we have interfaced the Exciting-Plus (“EP”) LAPW/APW+lo DFT code with the highly optimized SIRIUS multi-functional DFT package. This simplest realization of the separation of concerns approach yields substantial performance over the base EP code via additional task parallelism without significant change in the EP source code or user interface. We provide benchmarks of the interfaced code against the original EP using small bulk systems, and demonstrate performance on a spin-crossover molecule and magnetic molecule that are of size and complexity at the margins of the capability of the EP code itself.

Zhang, Long↗

NASA NTRS1973

The initial stage of development of type IV radio bursts and the relation to expanding magnetic bottles

Using the observed data for wideband type IV solar radio bursts, the onset time differences between the microwave and metric frequencies and the peak flux intensities of the metric component are analyzed as a function of the longitudinal position of the associated flares on the solar disk. It is shown that this time difference is dependent on the position of the associated flare and that the peak flux intensity reaches maximum when a flare occurs in the region from 10 to 40 deg west of the central meridian of the solar disk. These results are explained by taking into account the eastward expansion of magnetic bottles which trap mildly relativistic electrons responsible for type IV bursts. The relation between these magnetic bottles and shock waves which excite type II radio bursts is discussed.

Sakurai, K.↗

NASA NTRS2017

S-band Smallsat InSAR Constellation for Surface Deformation Science

Surface deformation studies using repeat-pass interferometric SAR have evolved into a powerful tool for geophysicists studying earthquake fault zones, volcanoes, ice sheet motion, and subterranean aquifers. Longer wavelengths (S-Band and L-Band) are preferred because they do not decorrelate as quickly as shorter wavelengths. Rapid revisit (1-3 days) is preferred because it allows the study of these phenomena at the timescales at which they commonly occur. Global access on such timescales is also required. Vector surface deformation measurements, taken from more than one direction, are a desired feature. This paper describes the conceptual architecture of a longer wave length, Smallsat SAR constellation of up to 12 satellites for rapid revisit surface deformation studies. The key to making such a constellation affordable is to lower launch costs, spacecraft costs, and instrument (SAR) costs. The first two objectives can be achieved using an ESPA-ring class, or Smallsat spacecraft. The third objective requires a SAR instrument sized to fit the mass and volume constraints imposed by such a spacecraft. Current state-of-the-art in miniaturization of electronics means that the radar transmit, receive and data handling functions can easily be implemented in a compact, low mass solution. The most significant challenge in designing a SAR to fit the Smallsat paradigm is in the dimensions of the antenna. The antenna sizing problem is addressed by adopting a smaller antenna than allowed by conventional SAR design rules. The baseline antenna design is simple, requiring no electronic beam-steering or beam-forming capability. Both reflectarray and microstrip patch antenna solutions are considered. The antenna structure is dual-purpose, to limit the overall system mass, with solar panels on the backplane providing power for the radar and spacecraft. The proposed solution easily accommodates radar squint angles of +/-30 degrees for repeat-pass interferometry measurements from multiple direct

Freeman, Anthony↗

DOE OSTI2018

Nature of the Positron State in CdSe Quantum Dots

Previous studies have shown that positron-annihilation spectroscopy is a highly sensitive probe of the electronic structure and surface composition of ligand-capped semiconductor quantum dots (QDs) embedded in thin films. The nature of the associated positron state, however, whether the positron is confined inside the QDs or localized at their surfaces, has so far remained unresolved. Our positron-annihilation lifetime spectroscopy studies of CdSe QDs reveal the presence of a strong lifetime component in the narrow range of 358–371 ps, indicating abundant trapping and annihilation of positrons at the surfaces of the QDs. Furthermore, our ab initio calculations of the positron wave function and lifetime employing a recent formulation of the weighted density approximation demonstrate the presence of a positron surface state and predict positron lifetimes close to experimental values. Our study thus resolves the long-standing question regarding the nature of the positron state in semiconductor QDs and opens the way to extract quantitative information on surface composition and ligand-surface interactions of colloidal semiconductor QDs through highly sensitive positron-annihilation techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗