Electron Momentum Distribution Research Articles

First-principles calculations for intrinsic defects in MgO: Positron lifetime and momentum distribution of electron–positron pairs

We presented first-principles calculations of the formation energies for various charge states of intrinsic defects in magnesium oxide, including VO, VMg, VMg+O, VO+Mg+O, and VMg+O+Mg. These results can be used to predict their thermodynamic stability and detectability of these defects via positron annihilation spectroscopy. We employed two-component density functional theory to compute the positron annihilation properties, incorporating the effects of temperature and spin polarization. We then performed calculations of the momentum distributions of annihilating electron–positron pairs in these intrinsic defects in MgO. Using one-dimensional momentum distributions (Doppler-broadening spectra), we calculated the line-shape parameters Srel and Wrel. Our positron lifetime calculations were compared with experimental data. These research provides insight into the positron annihilation characteristics of defects in MgO.

Modeling the electron cyclotron emission radiation signature from suprathermal electrons in a tokamak.

An Electron Cyclotron Emission (ECE) modeling code has been developed to model ECE radiation with an arbitrary electron momentum distribution, a small oblique angle, both ordinary (O-mode) and extraordinary polarizations (X-mode), and multiple cyclotron frequency harmonics. The emission and absorption coefficients are calculated using the Poynting theorem from the cold plasma dispersion and the electron-microwave interaction from the full anti-Hermitian tensor. The modeling shows several ECE radiation signatures that can be used to diagnose the population of suprathermal electrons in a tokamak. First, in an n = 2 X-mode (X2) optically thick plasma and oblique ECE view, the modeling shows that only suprathermal electrons, which reside in a finite region of the velocity and space domains, can effectively generate cyclotron emissions to the ECE receiver. The code also finds that the O1 mode is sensitive to suprathermal electrons of both a high v⊥ and v‖, while the X2 mode is dominantly sensitive to suprathermal electrons of a high v⊥. The modeling shows that an oblique ECE system with both X/O polarization and a broad frequency coverage can be used to effectively yield information of the suprathermal electron population in a tokamak.

Production of Dark Sector Particles via Resonant Positron Annihilation on Atomic Electrons.

Resonant positron annihilation on atomic electrons provides a powerful method to search for light new particles coupled to e^{+}e^{-}. Reliable estimates of production rates require a detailed characterization of electron momentum distributions. We describe a general method that harnesses the target material Compton profile to properly include electron velocity effects in resonant annihilation cross sections. We additionally find that high-Z atoms can efficiently act as particle physics accelerators, providing a density of relativistic electrons that allows one to extend by several times the experimental mass reach.

Convolutional neural network for retrieval of the time-dependent bond length in a molecule from photoelectron momentum distributions

Abstract We apply deep learning for retrieval of the time-dependent bond length in the dissociating two-dimensional H2 + molecule using photoelectron momentum distributions. We consider a pump-probe scheme and calculate electron momentum distributions from strong-field ionization by treating the motion of the nuclei classically, semiclassically or quantum mechanically. A convolutional neural network trained on momentum distributions obtained at fixed internuclear distances retrieves the time-varying bond length with an absolute error of 0.2-0.3 a.u.

Nonsequential double ionization of Ar atoms in counter-rotating two-color elliptically polarized laser fields

Electron correlation behaviors and recollision dynamics in nonsequential double ionization (NSDI) of Ar atoms in counter-rotating two-color elliptically polarized (TCEP) laser fields are investigated by using the classical ensemble model. The combined electric field in counter-rotating TCEP laser pulses traces out a trefoil pattern, i.e. the waveform in a period shows three leaves in different directions, and each leaf is called a lobe. Unlike counter-rotating two-color circularly polarized laser field, the combined electric field has no spatial symmetry. The amplitudes of the three field lobes and the angles between them are different. Thus, the returning electron mainly returns to the parent ion from one direction, and the electron momentum distributions show strong asymmetry. Numerical results show that the NSDI yield gradually decreases as the ellipticity increases, and the correlated behavior of the correlated electron momentum along the long axis of the laser polarization plane gradually evolves from correlation behavior mainly located in the first quadrant and the third quadrant to anti-correlation behavior mainly located in the second quadrant and fourth quadrant. In order to further understand the correlation behaviors of electron pairs, different characteristic times in the NSDI processes are discussed, respectively. It is found that single ionization events and recollision events gradually decrease, but single ionization time and recollision time change slightly. This may be the main reason for the decrease in NSDI yield. And as the ellipticity increases, the traveling time and the recollision energy gradually decrease, while the delay time increases. Therefore, we can conclude that ellipticity may be responsible for the NSDI process. In addition, further analysis finds that the shape of the trajectory becomes more and more triangular as the ellipticity increases due to the counter-rotating TCEP laser fields of the specific dynamical symmetries of the total net electric field. And it is found that whether it is a “short trajectory” or a “long trajectory”, more populations move to the second quadrant and the fourth quadrant as the ellipticity increases. The results show that increasing the ellipticity will gradually change the two electrons from emitting in the same direction to emitting in the opposite direction. This well demonstrates that both ellipticity and travelling time are responsible for the formation of the electron momentum distribution at the recollision time, meaning that both of them affect the emitted directions of both electrons.

The Coulomb effect in nonsequential double ionization by counter-rotating two-color elliptical polarization fields.

Using a three-dimensional classical ensemble model, nonsequential double ionization (NSDI) of Ar atoms by counter-rotating two-color elliptical polarization (TCEP) fields is investigated. The major axes of the two elliptical fields are aligned in different directions. The relative alignment of the two elliptical fields strongly affects the waveform of the combined electric field and the ultrafast dynamics of NSDI in TCEP fields. Numerical results show that the correlated electron momentum distributions in the x direction evolve from a V-shaped structure near the axis to a distribution concentrated on the diagonal with the angle between the two elliptical major axes increasing. The asymmetry of the energy sharing between the two electrons during recollision results in the V-shaped structure in the correlated momentum spectrum. Back analysis indicates that the recollision times of a part of the trajectories move from the peak to the valley of the combined electric field with the angle between the two elliptical major axes increasing. Therefore, for the case of a larger angle between the two elliptical major axes, the electrons experience a longer time to escape away from the vicinity of the parent ion and thus the stronger Coulomb effect from the parent ion makes the momentum difference between two electrons small, which results in a distribution concentrated on the diagonal. This provides an effective avenue to control the electron ultrafast dynamics in NSDI.

Manipulating nonsequential double ionization of atoms by parallel polarized three-color laser fields

Nonsequential double ionization (NSDI) of He atoms in a parallel polarized three-color field is investigated by using a three-dimensional classical ensemble model. The driving field is composed of 1600-nm and 800-nm laser pulses with equal intensity. A weak 400-nm laser pulse is used as a controlling field. The results indicate that in the correlated electron momentum distribution and ion momentum distribution, the electron pairs and ions of the first returning recollision (FRR) trajectory, the odd-returning recollision (ORR) trajectory (excluding FRR), and the even-returning recollision (ERR) trajectory are located in different regions separated well from each other. The electron pairs from FRR trajectories mainly distribute around the origin, and those electron pairs from ORR and ERR trajectories respectively cluster in the first quadrant and the third quadrant. With the increase of the phase of the controlling field, the proportion of FRR trajectories in NSDI first increases and then decreases, and the proportions of those trajectories with the returning number more than one first decrease and then increase, which leads to the fact that with the increase of the phase of the controlling field, the anticorrelated emissions first increase and then decrease and correspondingly the ion momentum distribution evolves from a double-hump to a triple-hump and then to a double-hump structure. Moreover, NSDI from multiple-returning recollision trajectories mainly occur through recollision-induced direct ionization (RDI) mechanism, while NSDI from the FRR trajectories mainly occurs through recollision-induced excitation with subsequent ionization (RESI) mechanism. Thus the dominant NSDI ionization mechanism can also be controlled by changing the phase of the controlling field.

Excitation dynamics in molecule resolved by internuclear distance driven by the strong laser field.

Rydberg-state excitation of stretched model molecules subjected to near-infrared intense laser fields has been investigated based on a fully quantum model (QM) proposed recently and the numerical solutions of time-dependent Schrödinger equation (TDSE). Given the good agreement between QM and TDSE, it is found that, as the molecules are stretched, the electron tends to be trapped into low-lying Rydberg-states after its ionization from the core, which can be attributed to the shift of the ionization moments corresponding to maximum excitation populations. Moreover, the n-distribution is broadened for molecules with increasing internuclear distance, which results from the change of momentum distribution of emitted electrons. Analysis indicates that both of the above phenomena are closely related to the interference effect of electronic wave packets emitted from different nuclei. Our study provides a more comprehensive understanding of the molecular excitation in intense laser fields, as well as a means of possible applications to related experimental observations.

Experimental evaluation of saturation thickness for 662 keV gamma rays in iron at different scattering angle

The study of multiple scattering of gamma photons is considered as an important tool for the correct determination of electronic momentum distribution in an atom, non-destructive testing, effective atomic number of composite materials, reactor shielding etc. A collimated beam from 137Cs radioactive source of strength 0.222 TBq emitting 662 keV gamma rays is allowed to impinge on cylindrical targets of iron with varying thickness. The scattered photons are detected by a properly shielded NaI(Tl) scintillation detector, having dimensions 51 mm x 51 mm diameter and thickness respectively, placed at different scattering angles. It is observed that the number of multiply scattered photons increases with increase in target thickness and saturate for a particular thickness called saturation thickness. The Multiple scatter fraction (MSF) increases with the increase of scattering angle at various energy window widths for iron targets. The same experiment is repeated with an HPGe gamma detector at scattering angle 90° and found the same value of saturation thickness. The Monte Carlo calculations based upon the package developed by Bauer and Pattison (1981) support the present experimental results.

Drift surface solver for runaway electron current dominant equilibria during the current quench

Runaway electron current generated during the current quench phase of tokamak disruptions could result in severe damage to future high performance devices. To control and mitigate such runaway electron current, it is important to accurately describe the runaway electron current dominated equilibrium, based on which further stability analysis could be carried out. In this paper, we derive a Grad–Shafranov-like equation solving for the axisymmetric drift surfaces of the runaway electrons instead of the magnetic flux surfaces for the simple case that all runaway electrons share the same parallel momentum. This new equilibrium equation is then numerically solved with simple rectangular wall with ITER-like and MAST-like geometry parameters. The deviation between the drift surfaces and the flux surfaces is readily obtained, and runaway electrons are found to be well confined even in regions with open field lines. The change of the runaway electron parallel momentum is found to result in a horizontal current center displacement without any changes in the total current or the external field. The runaway current density profile is found to affect the susceptibility of such displacement, with flatter profiles result in more displacement by the same momentum change. With up–down asymmetry in the external poloidal field, such displacement is accompanied by a vertical displacement of runaway electron current. It is found that this effect is more pronounced in smaller, compact device and weaker poloidal field cases. The above results demonstrate the dynamics of current center displacement caused by the momentum space change in the runaway electrons, and pave a way for more sophisticated runaway current equilibrium theory in the future with more realistic consideration on the runaway electron momentum distribution. This new equilibrium theory also provides foundation for future stability analysis of the runaway electron current.

Quantum correlation of electron and ion energy in the dissociative strong-field ionization of H2

We report on the strong field ionization of ${\mathrm{H}}_{2}$ by a corotating two-color laser field. We measure the electron momentum distribution in coincidence with the kinetic energy release (KER) of dissociating hydrogen molecules. In addition to a characteristic half-moon structure, we observe a low-energy structure in the electron momentum distribution at a KER of about 3.5 eV. We speculate that the outgoing electron interacts with the molecular ion, despite the absence of classical recollisions under these conditions. Time-dependent density functional theory simulations support our conclusions.

Transition to an excitonic insulator from a two-dimensional conventional insulator

In this paper, first, we present a general formulation to investigate the ground-state and elementary excitations of an excitonic insulator (EI) in real materials. In addition, we discuss the out-of-equilibrium state induced (albeit transiently) by high-intensity light illumination of a conventional two-dimensional (2D) insulator. We then present various band structure models which allow us to study the transition from a conventional insulator to an EI in 2D materials as a function of the dielectric constant, the conventional-insulator gap (and chemical potential), the bandwidths of the conduction and valence bands, and the Bravais lattice unit-cell size. One of the goals of this investigation is to determine which range of these experimentally determined parameters to consider in order to find the best candidate materials to realize the excitonic insulator. The numerical solution to the EI gap equation for various band structures shows a significant and interesting momentum dependence of the EI gap function $\mathrm{\ensuremath{\Delta}}(\stackrel{P\vec}{k})$ and of the zero-temperature electron and hole momentum distribution across the Brillouin zone. Last, we discuss the fact that these features can be detected by tunneling microscopy.

Application of nuclear analytical spectroscopies and ion beams to the study of nanomaterials: cooperative projects between Vinatom and JINR (Dubna)

Due to the rapid scientific and technological development in the last decades, basic research in solid state physics, chemistry and material science has focused on objects and phenomena more and more confined in dimensions and time-scale, and well visible for the general publicity by introducing the terms “nanophysics, nanoscience, nanomaterials, etc.”, often featured in the media. Researchers therefore keep searching for better and better investigative techniques. Various nuclear analytical spectroscopies, such as Positron annihilation lifetime (PAL), Doppler broadening of positron annihilation energy (DB), Electron momentum distribution (EMD), Slow positron beam (SPB), Neutron diffractions (ND), Rutherford backscattering (RBS), etc., have proved themselves as useful tools for microscopic analysis of different material’s structure ranging from angstrom (Ȧ) to nanometer (nm) scales. Besides, ion beams generated from accelerators (electron, 1H, 2He, 40Ar, 86Kr, 109Ag, 123Xe, 184W, etc.) have also become very effective tools for modifying the micro structure of nanomaterials. These methods have been intensively utilized by our group at Vinatom with external collaborations from JINR (Dubna) in order to study the in-depth structure of different nanomaterials. This report introduces our research and collaborative activities, facilities and some recent highlighted results.

Numerical Studies on Bow Waves in Intense Laser-Plasma Interaction

Laser-driven wakefield acceleration (LWFA) has attracted lots of attention in recent years. However, few writers have been able to make systematic research into the bow waves generated along with the wake waves. Research about the bow waves will help to improve the understanding about the motion of the electrons near the wake waves. In addition, the relativistic energetic electron density peaks have great potential in electron acceleration and reflecting flying mirrors. In this paper, the bow waves generated in laser-plasma interactions as well as the effects of different laser and plasma parameters are investigated. Multidimensional particle-in-cell simulations are made to present the wake waves and bow waves by showing the electron density and momentum distribution as well as the electric field along x and y directions. The evolution of the bow wave structure is investigated by measuring the open angle between the bow wave and the wake wave cavity. The angle as well as the peak electron density and transverse momentum is demonstrated with respect to different laser intensities, spot sizes, plasma densities, and preplasma lengths. The density peak emits high-order harmonics up to 150 orders and can be a new kind of “flying mirror” to generate higher order harmonics. The study on the bow waves is important for further investigation on the electron motion around the wake waves, generation of dense electron beams, generation of high-order harmonics, and other research and applications based on the bow waves.

A plano-convex thick-lens velocity map imaging apparatus for direct, high resolution 3D momentum measurements of photoelectrons with ion time-of-flight coincidence.

Since their inception, velocity map imaging (VMI) techniques have received continued interest in their expansion from 2D to 3D momentum measurements through either reconstructive or direct methods. Recently, much work has been devoted to the latter of these by relating electron time-of-flight (TOF) to the third momentum component. The challenge is having a timing resolution sufficient to resolve the structure in the narrow (<10ns) electron TOF spread. Here, we build upon the work in VMI lens design and 3D VMI measurement by using a plano-convex thick-lens (PCTL) VMI in conjunction with an event-driven camera (TPX3CAM) providing TOF information for high resolution 3D electron momentum measurements. We perform simulations to show that, with the addition of a mesh electrode to the thick-lens geometry, the resulting plano-convex electrostatic field extends the detectable electron cutoff energy range while retaining the high resolution. This design also extends the electron TOF range, allowing for a better momentum resolution along this axis. We experimentally demonstrate these capabilities by examining above-threshold ionization in xenon, where the apparatus is shown to collect electrons of energy up to ∼7eV with a TOF spread of ∼30ns, both of which are improved compared to a previous work by factors of ∼1.4 and ∼3.75, respectively. Finally, the PCTL-VMI is equipped with a coincident ion TOF spectrometer, which is shown to effectively extract unique 3D momentum distributions for different ionic species in a gas mixture. These techniques have the potential to lend themselves to more advanced measurements involving systems where the electron momentum distributions possess non-trivial symmetries.

Orbital effects on tunnel-electron momentum distributions: Ar and H[formula omitted] studied by electron–ion coincidence momentum imaging

Three-dimensional momentum distributions of tunnel-electrons produced from Ar and H2 in circularly polarized intense laser fields (1035 nm, 35 fs, 2×1014 W/cm2) have been measured by electron–ion coincidence momentum imaging. The photoelectrons recorded with a gas mixture of Ar and H2 exhibit torus-like distributions in the momentum space. Although ionization potentials are similar (15.8 eV for Ar and 15.4 eV for H2), significant differences are identified in the radius and the width of the photoelectron torus recorded in coincidence with the counterpart ions (Ar+ and H2+). The differences are confirmed by theoretical calculations based on the strong-field approximation, showing that the orbital character of ionizing electrons is encoded in the momentum distribution of tunnel electrons.

High-resolution Compton spectroscopy using x-ray microcalorimeters.

X-ray Compton spectroscopy is one of the few direct probes of the electron momentum distribution of bulk materials in ambient and operando environments. We report high-resolution inelastic x-ray scattering experiments with high momentum and energy transfer performed at a storage-ring-based high-energy x-ray light source facility using an x-ray transition-edge sensor (TES) microcalorimeter detector. The performance was compared with a silicon drift detector (SDD), an energy-resolving semiconductor detector, and Compton profiles were measured for lithium and cobalt oxide powders relevant to lithium-ion battery research. Spectroscopic analysis of the measured Compton profiles demonstrates the high-sensitivity to the low-Z elements and oxidation states. The line shape analysis of the measured Compton profiles in comparison with computed Hartree-Fock profiles is usually limited by the resolution of the semiconductor detector. We have characterized an x-ray TES microcalorimeter detector for high-resolution Compton scattering experiments using a bending magnet source at the Advanced Photon Source with a double crystal monochromator, providing monochromatic photon energies near 27.5keV. The momentum resolution below 0.16 atomic units (a.u.) was measured, yielding an improvement of more than a factor of 7 over a state-of-the-art SDD for the same scattering geometry. Furthermore, the lineshapes of narrow valence and broad core electron profiles of sealed lithium metal were clearly resolved using an x-ray TES compared to smeared and broadened lineshapes observed when using the SDD. High-resolution Compton scattering using the energy-resolving area detector shown here presents new opportunities for spatial imaging of electron momentum distributions for a wide class of materials with applications ranging from electrochemistry to condensed matter physics.

Nonsequential double ionization of Ne with elliptically polarized laser pulses

We show through simulation that the improved quantitative rescattering model (QRS) can successfully predict the nonsequential double ionization (NSDI) process by intense elliptically polarized laser pulses. Using the QRS model, we calculate the correlated two-electron and ion momentum distributions of NSDI in Ne exposed to intense elliptically polarized laser pulses with a wavelength of 788 nm at a peak intensity of $5.0\ifmmode\times\else\texttimes\fi{}{10}^{14}$ W/${\mathrm{cm}}^{2}$. We analyze the asymmetry in the doubly charged ion momentum spectra observed by Kang et al. [Phys. Rev. Lett. 120, 223204 (2018)] in going from linearly to elliptically polarized laser pulses. Our model reproduces the experimental data well. Furthermore, we find that the ellipticity-dependent asymmetry arises from the drift velocity along the minor axis of the elliptic polarization. We explain how the correlated electron momentum distributions along the minor axis provide access to the subcycle dynamics of recollision. From these findings, we expect that we can extend the QRS model for NSDI toward more complicated laser fields in the future.

Hexagonal annular-NiO nanoarchitecture with local p-n homojunctions: Novel formation mechanism and H2S gas sensing properties

This work reported a facile and scalable route that can control the synthesis of hexagonal annular-NiO nanoarchitecture (HANN) and explore its formation mechanism as well as gas-sensing properties. The results show that the morphology and crystal structure of HANN exhibit a uniform population with a fascinating annular shape, each containing an interior hexagonal hollow. The novel formation mechanism of HANN, which is closely related to the evolution of defects and nanopores during the annealing, is examined and discussed in detail by using nuclear analytical spectroscopies such as Positron annihilation lifetime, Doppler broadening and Electron momentum distribution. In particular, we found the possible formation of the so-called local p-n homojunctions due to the presence of O vacancies with a high concentration in the vacancy clusters in HANN. The high concentration of these vacancies generates many active sites and subsequently the local p-n homojunctions, which increases the adsorption/reaction of H2S molecules and the H2S-sensing performance of HANN. Hence, HANN-based sensors show excellent response, a low limit of detection (∼12 ppb) with remarkable selectivity and high stability toward H2S. This study is, thus, particularly important since it provides a new way to understand deeply the formation mechanism and gas-sensing performance of nanostructured metal oxide semiconductors.

Twisted quantum interference in photoelectron holography with elliptically polarized fields

We perform a systematic analysis of how ultrafast photoelectron holography is influenced by an elliptically polarized field, with emphasis on quantum interference effects. We find that the interplay of the external field and the binding potential leads to twisted holographic patterns for low ellipticities and recover well-known angular offsets for high ellipticities. Using the Coulomb quantum-orbit strong-field approximation, we assess how the field ellipticity affects specific holographic patterns, such as the fan and the spider. The interplay of the external field and the binding potential leads to twisted holographic patterns in the fan and to loss of contrast in the spider. This behavior can be traced back to interfering electron trajectories and unequal changes in tunneling probability due to nonvanishing ellipticity. We also derive tunneling times analytically using the strong-field approximation, provide estimates for ellipticity ranges for which interference is expected to be prominent, and discuss how to construct continuous electron momentum distributions exploring the rotation symmetry around the origin.