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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Atomic Scale Crystal Field Mapping of Polar Vortices in Oxide Superlattices

Polar vortices in oxide superlattices can be utilized as potential candidates for data storage applications due to their unique polarization topologies. The structure and dipole arrangement in polar vortices has been studied via X-ray scattering techniques, (scanning) transmission electron microscopy ((S)/TEM) and computational calculations. However, the fundamental correlation between the atomic structure and the electronic structure (which is manifested in the chemical bonding) has heretofore not been explored. Further, The hybridization between nominally empty $\textit{d}$ orbitals on the B-site with the occupied O 2$\textit{p}$ orbitals favors the condensation of a polar (ferroelectric) state in $\textit{AB}$O 3 perovskite oxides. The complex, continuously rotating local polarization texture of the vortices, in turn, can result in especially intricate $\textit{d}$- orbital interactions. Soft X-ray spectroscopy can probe these interactions at the transition metal $\textit{L}$-edge, but these techniques do not have the spatial resolution to resolve variations within one vortex (~5 nm region). Electron energy loss spectroscopy (EELS) in the STEM mode uses inelastically scattered electrons to probe the core-shell excitations (empty density of states) of transition metals at atomic resolution.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Probing shock dynamics inside micro-wire targets after high-intensity laser irradiation using small angle x-ray scattering of a free-electron laser

In this paper, we present an experiment that explores the plasma dynamics of a 7μm diameter carbon wire after being irradiated with a near-relativistic-intensity short pulse laser. Using an x-ray free electron laser pulse to measure the small angle x-ray scattering signal, we observe that the scattering surface is bent and prone to instability over tens of picoseconds. The dynamics of this process are consistent with the presence of a sharp, propagating shock front inside the wire, moving at a speed close to the hole boring velocity or that expected from a thermal shock at a few tens of Mbar.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

First-principles study of electron transport in ScN

We investigate the conduction-band structure and electron mobility in rocksalt ScN based on density functional theory. The first-principles band structure allows us to obtain band velocities and effective masses as a function of energy. Electron-phonon scattering is assessed by explicitly computing the q-dependent electron-phonon matrix elements, with the inclusion of the long-range electrostatic interaction. The influence of free-carrier screening on the electron transport is assessed using the random phase approximation. We find a notable enhancement of electron mobility when the carrier concentration exceeds 10 20 cm -3 . We calculate the room-temperature electron mobility in ScN to be 587 cm2 /Vs at low carrier concentrations. When the carrier concentration is increased, the electron mobility starts to decrease significantly around n = 10 19 cm -3 , and drops to 240 cm 2 /Vs at n = 10 21 cm -3 . We also explore the influence of strain in (111)- and (100)-oriented ScN films. For (111) films, we find that a 1.0% compressive epitaxial strain increases the in-plane mobility by 72 cm 2 /Vs and the out-of-plane mobility by 50 cm 2 /Vs. For (100) films, a 1.0% compressive epitaxial strain increases the out-of-plane mobility by as much as 172 cm2 /Vs, but has a weak impact on the in-plane mobility. Our study sheds light on electron transport in ScN at different electron concentrations and shows how strain engineering could increase the electron mobility.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Measurement of the Neutron Elastic Electromagnetic Form Factor Ratio at Large Momentum Transfer

Exploring nucleon structure is vital both for understanding its origin and existence as well as for the advancement of the sciences. It helps us answer key questions such as how quark and gluon dynamics create 99% of the nucleon mass. Electron- nucleon scattering has been widely used for precision studies of the nucleon and nuclear structure since the Nobel Prize winning investigations by Robert Hofstadter and collaborators in the 1950s. These studies provide information about the spatial charge and current densities of the nucleon in terms of the electromagnetic form factors. The form factors are functions of four momentum transfer squared (Q2). Extending the electromagnetic form factor measurements to higher Q2 plays a critical role in furthering the understanding of nucleon structure. This motivated the Super BigBite Spectrometer (SBS) program at Jefferson Lab. The open nature of the spectrometers and the direct line of sight from the target to the tracking detector locations in experimental setups such as SBS creates high levels of background at the detectors. This necessitates the use of tracking detectors with high rate capability and good position resolution. Gas Electron Multiplier (GEM) detectors are an excellent choice for tracking detectors in such experiments. Understanding the performance of the GEM detectors is important not just for SBS experiments but also for future high-luminosity experiments. This thesis reports the exploratory results from the measurement of the neutron elastic electromagnetic form factor ratio (Gn E/Gn M) at high momentum transfer. A longitudinally polarized electron beam was scattered off a polarized 3He target, used as an effective polarized neutron target. In this experiment, the polarized 3He target achieved a world record polarization weighted luminosity at a beam current of 45 µA. Double spin asymmetry of the scattered neutron events is used to extract the neutron form factor ratio. Measurements were taken at Q2 = 3.0, 6.8, 9.8 (GeV/c)2. The lowest Q2 measurement is in good agreement with the existing world data, and the higher-Q2 measurements extend the Q2 reach well beyond the existing world data and are expected to remain unmatched for a long time.

Gamage, Vimukthi Haththotuwa [Univ. of Virginia, C↗
NASA NTRS1973

Valence resonance states of N2/-/

Resonant scattering observed in the transmission of electrons between 9 and 11 eV in collision with N2 has been attributed to the attachment of the scattered electron to an excited valence state. Resonance valence excited states of N2(-) are calculated that could support this hypothesis. Although calculated and observed resonance energies are in close agreement, the calculations do not reflect the observed complex angular behavior of the scattered electron.

Krauss, M.↗
NASA NTRS1989

Angular dependent transport of auroral electrons in the upper atmosphere

The transport of auroral electrons through the upper atmosphere is analyzed. The transport equation is solved using a discrete-ordinate method, including elastic and inelastic scattering of electrons (resulting in changes of pitch angle) and degradation in energy as the electrons penetrate into the atmosphere. The transport equation is solved numerically for the electron intensity as a function of altitude, pitch angle, and energy. In situ measurements of the pitch angle and energy distribution of precipitating electrons over an auroral arc provide boundary conditions for the calculation. Model calculations were carried out with various different phase functions for elastic and inelastic collisions to attempt changing the angular scattering, but the observed pitch angle distributions remain unexplained. It is suggested that mechanisms other than collisional scattering influence the angular distribution of auroral electrons at or below 300 km altitude in the low-energy domain.

Lummerzheim, D.↗
NASA NTRSDate not supplied

Effect of Electronic Shot Noise on Dynamic Measurements using Optical Techniques: Examples from Rayleigh Scattering and Unsteady PSP

Electronic shot noise is an unavoidable reality in all optical techniques that depend on measuring light intensity. For steady-state, time-averaged measurements the impact of shot noise can be easily reduced by increasing the exposure time, or by averaging over multiple-exposures. That is not the case for unsteady measurements, where time histories of light intensity variations need to be created either by high-speed photography (unsteady PSP) or via photoelectron counting (spectrally resolved Rayleigh scattering) over short time durations using a photo-multiplier tube (PMT) and photon counting electronics. Electronic shot noise introduces a fixed amount of random error, which can overwhelm the light intensity variation caused by turbulent fluctuations. Spectrum computed from such time series shows a fixed noise floor that is independent of the number of data points in the time series. For a fixed optical system, where the collected power of the luminescent light (uPSP), or the scattered light (Rayleigh) is fixed, one needs to resort to special techniques to obtain enough signal-to noise ratio (SNR). For the uPSP application it is shown that averaging of the adjacent pixels improves SNR; although this may lead to a sacrifice of spatial resolution. A second means is to increase the exposure time, which leads to a lowering of the frequency range. For the Rayleigh application, improvements of SNR can be achieved via two different cross-correlation based approaches. The first involves measuring the light intensity using two PMTs using short, contiguous gates; thereby, creating two time-series of data. The second one involves collecting one long time-series of data using one set of measurement device, followed by an odd-even splitting into two time series. When the two time-series are cross-correlated, and a power spectrum is calculated, a significant reduction in the shot noise floor can be achieved. Examples from measurements of density and velocity fluctuations spectra from two different Rayleigh setup are presented to demonstrate the process.

uPSP↗
NASA NTRS1975

Energy loss of relativistic electrons and positrons traversing cosmic matter

Questions of adiabatic expansion are considered along with aspects of Compton scattering, bremsstrahlung, electronic excitation, synchrotron radiation, and electron-positron pair production. It is found that, unless the intergalactic magnetic field is very small, synchrotron radiation will dominate all other energy loss processes at ultrahigh electron and positron energies. The dependence of the loss rates on the cosmic epoch is also discussed.

Gould, R. J.↗
NASA NTRS1986

Studies of electron-molecule collisions - Applications to e-H2O

Elastic differential and momentum transfer cross sections for the elastic scattering of electrons by H2O are reported for collision energies from 2 to 20 eV. These fixed-nuclei static-exchange cross sections were obtained using the Schwinger variational approach. In these studies the exchange potential is directly evaluated and not approximated by local models. The calculated differential cross sections, obtained with a basis set expansion of the scattering wave function, agree well with available experimental data at intermediate and larger angles. As used here, the results cannot adequately describe the divergent cross sections at small angles. An interesting feature of the calculated cross sections, particularly at 15 and 20 eV, is their significant backward peaking. This peaking occurs in the experimentally inaccessible region beyond a scattering angle of 120 deg. The implication of this feature for the determination of momentum transfer cross sections is described.

Brescansin, L. M.↗
DOE OSTI2025

Origin of Large Effective Phonon Magnetic Moments in Monolayer MoS 2

Recent helicity-resolved magneto-Raman spectroscopy measurement demonstrates large effective phonon magnetic moments of ~2.5 μ B in monolayer MoS 2 , highlighting resonant excitation of bright excitons as a feasible route to activate Γ-point circularly polarized phonons in transition metal dichalcogenides. However, a microscopic picture of this intriguing phenomenon remains lacking. In this work, we show that an orbital transition between the split conduction bands (Δ 0 = 4 meV) of MoS 2 couples to the doubly degenerate E" phonon mode (Ω 0 = 33 meV), forming two hybridized states. Our phononic and electronic Raman scattering measurements capture these two states: (i) one with predominantly phonon contribution in the helicity-switched channels and (ii) one with primarily orbital contribution in the helicity-conserved channels. An orbital-phonon coupling model successfully reproduces the large effective magnetic moments of the circularly polarized phonons and explains their thermodynamic properties. Strikingly, the Raman mode from the orbital transition is superimposed on a strong quasi-elastic scattering background, indicating the presence of spin fluctuations. As a result, the electrons excited to the conduction bands through the exciton exhibit paramagnetic behavior although MoS 2 is generally considered as a nonmagnetic material. By depositing nanometer-thickness nickel thin films on monolayer MoS 2 , we tune the electronic structure so that the A exciton perfectly overlaps with the 633 nm laser. The optimization of resonance excitation leads to pronounced tunability of the orbital-phonon hybridized states. Our results generalize the orbital-phonon coupling model of effective phonon magnetic moments to material systems beyond the paramagnets and magnets.

2D transition metal dichalcogenide↗
DOE OSTI2020

Photodissociation of aqueous I3− observed with liquid-phase ultrafast mega-electron-volt electron diffraction

Developing femtosecond resolution methods for directly observing structural dynamics is critical to understanding complex photochemical reaction mechanisms in solution. We have used two recent developments, ultrafast mega-electron-volt electron sources and vacuum compatible sub-micron thick liquid sheet jets, to enable liquid-phase ultrafast electron diffraction (LUED). We have demonstrated the viability of LUED by investigating the photodissociation of tri-iodide initiated with a 400 nm laser pulse. This has enabled the average speed of the bond expansion to be measured during the first 750 fs of dissociation and the geminate recombination to be directly captured on the picosecond time scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Resonance quasi-projection operators - Calculation of the super 2 S autoionization state of He/-/.

Development of a method to remedy the defects of the projection-operator technique for calculating electron resonances in scattering from many-electron targets. It is recommended that the projection operator Q be replaced by a quasi-projection operator which yields a discrete spectrum which can be made to be in essentially a unique correspondence with resonance energies. By relaxing the idempotency requirement, it is found possible to define two forms of this quasi-projection operator. The simpler of the two forms is tested on e-H and e-H(+) systems; the two lowest resonant energies differ by less than 0.01 eV from rigorous QHQ results. For many-electron targets it is further argued that replacement of the exact target eigenfunction by reasonable approximations in constructing the quasi-projection operator will affect neither the discreteness of the above-mentioned discrete spectrum nor the proximity of its eigenvalues to the resonant energies.

Temkin, A.↗
DOE OSTI2021

Electron ptychography achieves atomic-resolution limits set by lattice vibrations

Transmission electron microscopes use electrons with wavelengths of a few picometers, potentially capable of imaging individual atoms in solids at a resolution ultimately set by the intrinsic size of an atom. However, owing to lens aberrations and multiple scattering of electrons in the sample, the image resolution is reduced by a factor of 3 to 10. By inversely solving the multiple scattering problem and overcoming the electron-probe aberrations using electron ptychography, we demonstrate an instrumental blurring of less than 20 picometers and a linear phase response in thick samples. The measured widths of atomic columns are limited by thermal fluctuations of the atoms. As a result, our method is also capable of locating embedded atomic dopant atoms in all three dimensions with subnanometer precision from only a single projection measurement.

42 ENGINEERING↗
DOE OSTI2021

A laser inverse Compton scattering diagnostic to study runaway electron dynamics during tokamak disruptions

Both technical and simulation progress has been made toward implementing a laser inverse Compton scattering diagnostic on the DIII-D tokamak. This is a novel diagnostic which uses a short (sub-ns) pulse laser together with a fast (sub-ns) gated x-ray detector to measure relativistic electrons inside a tokamak plasma. The study of these relativistic electrons is important to make sure they can be removed from any tokamak-based power reactor, as they could damage vessel walls and cooling lines. This diagnostic is completely new for magnetic fusion research and has never been implemented before on a tokamak. It is found that good signals and radial profiles could be obtained with an optimized high-energy (7 Joule) laser. Using a standard off-the-shelf Nd:YAG (0.7 Joule) laser would give some signals above the noise but no ability to measure the relativistic electron radial profile.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2017

Critical Fluctuations in Beam-Plasma Systems and Solar Type III Radio Bursts

It is shown that the Langmuir waves are excited similar to critical fluctuations during phase transitions when the negative absorption due to electron beam traveling radially outward in the solar atmosphere is balanced by the positive absorption due to collisions in the corona and due to scattering on electron density inhomogeneities in the interplanetary medium. The effective temperature of the Langmuir fluctuations range from 1011 to 1013 K, explaining the majority of the type III bursts. The Rayleigh scattering and direct coupling due to density gradient as well as due to density inhomogeneities are discussed in the context of fundamental radiation and the combination scattering for second harmonic. The number density of electrons in type III beams is estimated and compared with observations. It is also shown that the stabilization of type III beams is achieved automatically since the instability does not develop in the case of critical fluctuations.

Fluctuations↗
DOE OSTI2024

Biaxial Tensile Strain Enhances Electron Mobility of Monolayer Transition Metal Dichalcogenides

Strain engineering can modulate the material properties of two-dimensional (2D) sem- iconductors for electronic and optoelectronic applications. Recent theory and experiments have found that uniaxial tensile strain can improve the electron mobility of monolayer MoS 2 , a 2D semiconductor, but the effects of biaxial strain on charge transport are not well-understood in 2D semiconductors. Here, we use biaxial tensile strain on flexible substrates to probe the electron mobility in monolayer WS 2 and MoS 2 transistors. Further, this approach experimentally achieves ~2× higher on-state current and mobility with ~0.3% applied biaxial strain in WS 2 , the highest mobility improvement at the lowest strain reported to date. We also examine the mechanisms behind this improvement through density functional theory simulations, concluding that the enhancement is primarily due to reduced intervalley electron-phonon scattering. These results underscore the role of strain engineering 2D semiconductors for flexible electronics, sensors, integrated circuits, and other opto-electronic applications.

2D materials↗
DOE OSTI2021

IMS Rapid Response FY21 Summary Report for: Integrating Patterned Probes with Four-Dimensional Scanning Transmission Electron Microscopy for Unrivaled Crystallographic Structure Determination in Nanomaterials

The initial goal of our 4-dimensional scanning transmission electron microscopy (4D-STEM)-based project was to develop strain resolution two orders of magnitude better than what is now currently possible with electron-based scattering techniques, all while collecting scattering information from 7 different tilt axes at one time [multi-beam electron diffraction (MBED)1 ] through the development of a new electron probe-forming aperture with non-circular features (patterned probes 2 ). We set out to accomplish this through a collaboration with Drs. Colin Ophus and Ben Savitsky at Lawrence Berkeley Laboratory (they are the world-leading experts in developing the complex computational codes required to perform orientation analysis and quantitative strain mapping on our 4D-STEM data sets. We are motivated to invest in this area as it will be the only technique sensitive enough to perform three- dimensional automated crystallographic orientation mapping (ACOM) and strain mapping for materials exposed to external stimulus (a focus of our larger efforts).

36 MATERIALS SCIENCE↗