Electron Wave Research Articles

Nonlocal effects in plasmon-emitter interactions.

Nonlocal and quantum mechanical phenomena in noble metal nanostructures become increasingly crucial when the relevant length scales in hybrid nanostructures reach the few-nanometer regime. In practice, such mesoscopic effects at metal-dielectric interfaces can be described using exemplary surface-response functions (SRFs) embodied by the Feibelman d-parameters. Here we show that SRFs dramatically influence quantum electrodynamic phenomena - such as the Purcell enhancement and Lamb shift - for quantum light emitters close to a diverse range of noble metal nanostructures interfacing different homogeneous media. Dielectric environments with higher permittivities are shown to increase the magnitude of SRFs calculated within the specular-reflection model. In parallel, the role of SRFs is enhanced in noble metal nanostructures characterized by large surface-to-volume ratios, such as thin planar metallic films or shells of core-shell nanoparticles, for which the spill-in of electron wave functions enhances plasmon hybridization. By investigating emitter quantum dynamics close to such plasmonic architectures, we show that decreasing the width of the metal region, or increasing the permittivity of the interfacing dielectric, leads to a significant change in the Purcell enhancement, Lamb shift, and visible far-field spontaneous emission spectrum, as an immediate consequence of SRFs. We anticipate that fitting the theoretically modelled spectra to experiments could allow for experimental determination of the d-parameters.

Control of quantum paths in harmonic generation through orthogonal fields specific frequency ratios

By solving a two-dimensional, time-dependent Schrödinger equation, we investigate high-order harmonic generation for the H2+ molecular ion in orthogonally polarized two-color laser pulses. We find that harmonic generation depends on the frequency ratio n=ωyωx . When the wavelength is 800 nm and n = 1.2, the harmonic plateau becomes smoother, and the quantum orbital interference decreases. We change the fundamental wavelength and find that the harmonic spectrum exhibits a supercontinuum structure, and the quantum orbital is controllable. When the wavelength is 1600 nm and 2000 nm, and n = 1.2, we gain a deeper understanding of the physical process of harmonics. We have provided the time-frequency distribution and the probability density of an electron wave packet picture. Next, we analyzed the impact of the carrier-envelope phase on harmonics, and we combined Lissajous figures to continue our analysis. The research results find that when the carrier-envelope phase is 0, 0.5π, π, and 1.5π, the harmonic intensity becomes higher, and all exhibit a supercontinuum structure. We chose certain orders of harmonics, and isolated attosecond pulses can be synthesized.

Secondary Whistler and Ion-cyclotron Instabilities Driven by Mirror Modes in Galaxy Clusters

Electron cyclotron waves (whistlers) are commonly observed in plasmas near Earth and the solar wind. In the presence of nonlinear mirror modes, bursts of whistlers, usually called lion roars, have been observed within low magnetic field regions associated with these modes. In the intracluster medium (ICM) of galaxy clusters, the excitation of the mirror instability is expected, but it is not yet clear whether electron and ion cyclotron (IC) waves can also be present under conditions where gas pressure dominates over magnetic pressure (high β). In this work, we perform fully kinetic particle-in-cell simulations of a plasma subject to a continuous amplification of the mean magnetic field B (t) to study the nonlinear stages of the mirror instability and the ensuing excitation of whistler and IC waves under ICM conditions. Once mirror modes reach nonlinear amplitudes, both whistler and IC waves start to emerge simultaneously, with subdominant amplitudes, propagating in low- B regions, quasi-parallel to B (t). We show that the underlying source of excitation is the pressure anisotropy of electrons and ions trapped in mirror modes with loss-cone-type distributions. We also observe that IC waves play an essential role in regulating the ion pressure anisotropy at nonlinear stages. We argue that whistler and IC waves are a concomitant feature at late stages of the mirror instability even at high β, and therefore, expected to be present in astrophysical environments like the ICM. We discuss the implications of our results for collisionless heating and dissipation of turbulence in the ICM.

Macroscopic quantum response to gravitational waves

We study the excitation of a one-electron quantum cyclotron bygravitational waves. The electron in such as a penning trap is prepared tobe at the lowest Landau level, which has an infinitedegeneracy parameterized by the spread of the wave function in position space. We find that the excitation rate from the ground state to the first excited state is enhanced by the size of the electron wave function: an electron with a larger wave function feels gravitational waves more. As a consequence, we derive a good sensitivity to gravitational waves at a macroscopic one-electron quantum cyclotron.

Ultrafast Kapitza-Dirac effect.

Similar to the optical diffraction of light passing through a material grating, the Kapitza-Dirac effect occurs when an electron is diffracted by a standing light wave. In its original description, the effect is time independent. Here, we extended the Kapitza-Dirac effect to the time domain. By tracking the spatiotemporal evolution of a pulsed electron wave packet diffracted by a 60-femtosecond (where one femtosecond = 10-15 seconds) standing wave pulse in a pump-probe scheme, we observed time-dependent diffraction patterns. The fringe spacing in the observed pattern differs from that generated by the conventional Kapitza-Dirac effect. By exploiting this time-resolved diffraction scheme, we can access the time evolution of the phase properties of a free electron and potentially image ionic potentials and electronic decoherences.

Application of Hilbert-differential phase contrast to scanning transmission electron microscopy.

We report a novel class of scanning transmission electron microscopy with Hilbert-differential phase contrast (HDP-STEM) that displays nanostructures of thin samples in a topographical manner. A semicircular π-phase plate (PP) was used as an optical device for manipulating electron waves in HDP-STEM. This is the different design from the Zernike PP used in our previous phase plate STEM (P-STEM), but both must be placed in the front focal plane of the condenser lens. HDP-STEM images of multiwalled carbon nanotubes showed higher contrast than those obtained by conventional bright-field STEM. As the PP of the HDP-STEM is nonsymmetrical, several different images were obtained by changing the detection conditions. A two-dimensional electron detector was also used to remove the scattering contrast component in the same way as with the Zernike PP and obtain an image containing only (differential) phase contrast.

Modeling of High-Harmonic Generation in the C60 Fullerene Using Ab Initio, DFT-Based, and Semiempirical Methods.

We report calculations of the high-harmonic generation spectra of the C60 fullerene molecule carried out by employing a diverse set of real-time time-dependent quantum chemical methods. All methodologies involve expanding the propagated electronic wave function in bases consisting of the ground and singly excited time-independent eigenstates obtained through the solution of the corresponding linear-response equations. We identify the correlation and exchange effect in the spectra by comparing the results from methods relying on the Hartree-Fock reference determinant with those obtained using approaches based on the density functional theory with different exchange-correlation functionals. The effect of the full random-phase approximation treatment of the excited electronic states is also analyzed and compared with the configuration interaction singles and the Tamm-Dancoff approximation. We also showcase the fact that the real-time extension of the semiempirical method INDO/S can be effectively applied for an approximate description of laser-driven dynamics in large systems.

Nonadiabatic Conical Intersection Dynamics in the Local Diabatic Representation with Strang Splitting and Fourier Basis.

We develop and implement an exact conical intersection nonadiabatic wave packet dynamics method that combines the local diabatic representation, Strang splitting for the total molecular propagator, and discrete variable representation with uniform grids. By employing the local diabatic representation, this method captures all nonadiabatic effects, including nonadiabatic transitions, electronic coherences, and geometric phase. Moreover, it is free of singularities in the first and second derivative couplings and does not require the electronic wave function to be continuous with respect to the nuclear coordinates. We further show that in contrast to the adiabatic representation, the split-operator method can be directly applied to the full molecular propagator with the locally diabatic ansatz. The Fourier series, employed as the primitive nuclear basis functions, is universal and can be applied to all types of reactive coordinates. The combination of local diabatic representation, Strang splitting, and Fourier basis allows numerically exact modeling of conical intersection quantum dynamics directly with adiabatic electronic states that can be obtained from standard electronic structure computations.

Numerical Simulation for Solitary Waves of the Generalized Zakharov Equation Based on the Lattice Boltzmann Method

The generalized Zakharov equation is a widely used and crucial model in plasma physics, which helps to understand wave particle interactions and nonlinear wave propagation in plasma. The solitary wave solution of this equation provides insights into phenomena such as electron and ion acoustic waves, as well as magnetic field disturbances in plasma. The numerical simulation of solitary wave solutions to the generalized Zakharov equation is an interesting problem worth studying. This is crucial for plasma-based technology, as well as for understanding nonlinear wave propagation in plasma physics and other fields. In this study, a numerical investigation of the generalized Zakharov equation using the lattice Boltzmann method has been conducted. The lattice Boltzmann method is a new modeling and simulating method at the mesoscale. A lattice Boltzmann model was constructed by performing Taylor expansion, Chapman–Enskog expansion, and time multiscale expansion on the lattice Boltzmann equation. By defining the moments of the equilibrium distribution function appropriately, the macroscopic equation can be restored. Furthermore, the numerical experiments for the equation are carried out with the parameter lattice size m=100, time step Δt=0.001, and space step size Δx=0.4. The solitary wave solution of the equation is numerically simulated. Numerical results under different parameter values are compared, and the convergence and effectiveness of the model are numerically verified. It is obtained that the model is convergent in time and space, and the convergence orders are all 2.24881. The effectiveness of our model was also verified by comparing the numerical results of different numerical methods. The lattice Boltzmann method demonstrates advantages in both accuracy and CPU time. The results indicate that the lattice Boltzmann method is a good tool for computing the generalized Zakharov equation.

Surface Hopping with Reliable Wave Function by Introducing Auxiliary Wave Packets to Trajectory Branching.

It is well-known that the widely utilized fewest switches surface hopping method suffers from the severe overcoherence problem, and thus adiabatic populations calculated by wave functions are generally inferior to those based on active states. More importantly, to achieve a complete description of nonadiabatic dynamics, the density matrix is essential. In this paper, we present an auxiliary branching corrected surface hopping (A-BCSH) method that introduces auxiliary wave packets (WPs) on the adiabatic potential energy surfaces for trajectory branching. Both rapid and gradual separation of WP components on different surfaces are characterized, and thus the correct decoherence time along each trajectory is captured. As demonstrated in the three standard Tully models, A-BCSH exhibits excellent internal consistency. Namely, close adiabatic populations are obtained based on both wave functions and active states. In particular, A-BCSH successfully obtains a reliable time-dependent spatial distribution of the density matrix, which relies only on electronic wave functions. Due to its high performance, our A-BCSH method provides a new and highly promising perspective on further development of more consistent surface hopping with reliable wave function.

Formula omitted]-type doping modulation of double GaAs/AlGaAs quantum wells

Utilizing the FEniCS Project and Python programming, we conduct a comprehensive characterization and analysis of the n-type doped layer in double quantum wells made of GaAs and featuring AlGaAs barriers through self-consistent Schrödinger–Poisson simulations. The main findings reveal that the dimensions of the system and the doping layer significantly influence the electronic properties, energy levels, Fermi energy, wave functions, and electron density. Upon doping the intermediate barrier, electrons exhibit notable migration from the doping region to the quantum well zones, particularly pronounced for thin barriers. Conversely, for large barriers, the emergence of a new well, akin to a real quantum well, imposes constraints on the movement of charge carriers. The electron density varies in accordance with the impurity density, which assumes significant importance as the quantum well and barrier width are reduced. The Fermi energy level, which play a crucial role in semiconductors, rises with a decrease in quantum well width or an increase in doped layer width and n-type doping density, remaining almost unaffected by variations in barrier width.

Consistent Construction of the Density Matrix from Surface Hopping Trajectories.

Proper construction of the density matrix based on surface hopping trajectories remains a difficult problem. Due to the well-known overcoherence in traditional surface hopping simulations, the electronic wave function cannot be used directly. In this work, we propose a consistent density matrix construction method, which takes the advantage of occupation of active states to rescale the coherence calculated by wave functions and ensures the intrinsic consistency of the density matrix. This new trajectory analysis method can be used for both Tully's fewest switches surface hopping (FSSH) and our recently proposed branching corrected surface hopping (BCSH). As benchmarked in both one- and two-dimensional standard scattering models, the new approach combined with BCSH trajectories achieves highly accurate time-dependent spatial distributions of adiabatic populations and coherence compared to exact quantum results.

System of metastable volume-localized electronic states in positively charged semiconductor single-wall carbon nanotubes

The volume-localized electronic states (SAMOs) with a maximum of their electron wave functions located in the cavity of nanomaterials have been experimentally and theoretically demonstrated in a fullerene. The existence of SAMOs in single-wall carbon nanotubes (SWCNTs) was also predicted theoretically. In the present paper, these volume states in semiconductor SWCNTs were theoretically investigated using numerical quantum modeling based on density functional theory (DFT). It is shown that the well appears in the center of the tube, whose depth increases with increasing positive charge, since the total potential of a positively charged structure can be represented as the sum of the Coulomb potential and the potential of the atoms of the tube wall. In this context, in addition to the well-studied surface-localized states, states localized in the volume of the cylinder also occur. Using the components of the electric transition dipole moment, the lifetime of the volume states was preliminarily estimated in comparison to the lifetime of the ordinary surface states.

КВАНТОВЫЙ РАЗМЕРНЫЙ ЭФФЕКТ В ЧИСТЫХ ПЛЕНКАХ АЛЮМИНИЯ

In the modern world, there's a notable trend towards the active miniaturization of electronic devices. With technological advances enabling the manipulation of nanostructures, there's an increasing focus on exploring quantum effects pivotal to such designs. One distinguishing feature of nanostructures is the quantum nature of the electron's energy spectrum. This spectrum becomes discrete in directions where electrons move. Depending on the direction of this confinement, structures can be categorized as nanoplates, quantum wires, or quantum dots. The properties of such structures can significantly differ from those observed in large-scale systems. When discussing superconductivity, particular emphasis is placed on its macroscopic quantum properties.The influence on electronic wave functions is reflected in the characteristics of the superconducting state on broader scales. The Bardeen-Cooper-Schrieffer (BCS) theory is frequently utilized to analyze these nanostructures. The Gor’kov equations method serves as a potent tool for tasks related to the BCS theory. For instance, it can determine the parameters of the superconducting state, critical temperature, and current. Components of these equations, like Green's functions, are associated with various system properties. Research in the early stages of superconductivity studies revealed that the critical temperature (Tc ) – the temperature at which a material transitions to a superconducting state – can differ significantly between thin films and bulk materials. Intriguingly, reducing the film's thickness can both decrease (e.g., in niobium) and increase (e.g., in aluminum) the Tc value. This study delves into the quantum size effect in thin aluminum films, paving the way for materials with higher transition temperatures. Such advancements can simplify and make the maintenance of superconducting systems more cost-effective. In this study, a theoretical relationship between the critical temperature of a thin aluminum film and its thickness was derived. The Green's function method was chosen, which hadn't been previously employed for this computation. This approach offers greater potential compared to other superconductivity theory methods, presenting extensive avenues for theoretical exploration in this domain. The authors are confident that this work will contribute to further research on quantum dimensional effects in low-dimensional superconducting structures.

Stability of Charge Density Waves in Electron–Phonon Systems

Stability of Charge Density Waves in Electron–Phonon Systems

Optimization of AlGaN-based deep ultraviolet light emitting diodes with superlattice step doped electron blocking layers.

The superlattice electron blocking layer (EBL) has been proposed to reduce the electron leakage of the deep ultraviolet light emitting diodes (DUV-LEDs). However, the hole transport is hindered by the barriers of EBL and the improvement of hole injection efficiency still suffers enormous challenges. The superlattice step doped (SLSD) EBL is proposed to improve the hole injection efficiency while enhancing the electron confinement capability. The SLSD EBL enhances the electron confinement capability by multi-reflection effects on the electron wave function. And a built-in electric field towards the active region is generated by superlattice step doping, which facilitates the transport of holes into the multiple quantum wells. The Advaced Physical Model of Semiconductor Devices (APSYS) software is used to simulate the DUV-LEDs with conventional EBL, superlattice EBL, superlattice doped EBL, and SLSD EBL. The results indicate that the SLSD EBL contributes to the increased electron concentration in the multiple quantum wells, the reduced electron leakage in the p-type region, the increased hole injection current, and the increased radiative recombination rate. When the current is 60 mA, the external quantum efficiency of DUV-LED with SLSD EBL is increased to 5.27% and the output power is increased to 13.81 mW. The SLSD EBL provides a valuable reference for solving the problems of serious electron leakage and insufficient hole injection of the DUV-LEDs.

Orbital Magneto-Nonlinear Anomalous Hall Effect in Kagome Magnet Fe_{3}Sn_{2}.

It has been theoretically predicted that perturbation of the Berry curvature by electromagnetic fields gives rise to intrinsic nonlinear anomalous Hall effects that are independent of scattering. Two types of nonlinear anomalous Hall effects are expected. The electric nonlinear Hall effect has recently begun to receive attention, while very few studies are concerned with the magneto-nonlinear Hall effect. Here, we combine experiment and first-principles calculations to show that the kagome ferromagnet Fe_{3}Sn_{2} displays such a magneto-nonlinear Hall effect. By systematic field angular and temperature-dependent transport measurements, we unambiguously identify a large anomalous Hall current that is linear in both applied in-plane electric and magnetic fields, utilizing a unique in-plane configuration. We clarify its dominant orbital origin and connect it to the magneto-nonlinear Hall effect. The effect is governed by the intrinsic quantum geometric properties of Bloch electrons. Our results demonstrate the significance of the quantum geometry of electron wave functions from the orbital degree of freedom and open up a new direction in Hall transport effects.

Angular Dispersion of Free-Electron-Light Coupling in an Optical Fiber-Integrated Metagrating.

Free electrons can couple to optical material excitations on nanometer-length and attosecond-time scales, opening-up unique opportunities for both the generation of radiation and the manipulation of the electron wave function. Here, we exploit the Smith-Purcell effect to experimentally study the coherent coupling of free electrons and light in a circular metallo-dielectric metagrating that is fabricated onto the input facet of a multimode optical fiber. Using hyperspectral angle-resolved (HSAR) far-field imaging inside a scanning electron microscope, we probe the angular dispersion of Smith-Purcell radiation (SPR) that is simultaneously generated in free space and inside the fiber by an electron beam that grazes the metagrating at a nanoscale distance. Furthermore, we analyze the spectral distribution of SPR that is emitted into guided optical modes and correlate it with the numerical aperture of the fiber. By varying the electron energy between 5 and 30 keV, we observe the emission of SPR from the ultraviolet to the near-infrared spectral range, and up to the third emission order. In addition, we detect incoherent cathodoluminescence that is generated by electrons penetrating the input facet of the fiber and scattering inelastically. As a result, our HSAR measurements reveal a Fano resonance that is coupled to a Rayleigh anomaly of the metagrating, and that overlaps with the angular dispersion of second-order SPR at 20 keV. Our findings demonstrate the potential of optical fiber-integrated metasurfaces as a versatile platform to implement novel ultrafast light sources and to synthesize complex free-electron quantum states with light.

Molecular beam epitaxy of GaN/AlGaN quantum wells on bulk GaN substrate in the step-flow or step meandering regime: Influence on indirect exciton diffusion

GaN/AlxGa1−xN quantum wells were grown by molecular beam epitaxy on high quality bulk (0001) GaN substrates. The quantum well thickness was set in the 6–8 nm range to favor the photoluminescence emission of indirect excitons. Indeed, such excitons are known to be spatially indirect due to the presence of the internal electric field which spatially separates the electron and hole wave functions. The growth conditions were optimized in view of minimizing the photoluminescence peak broadening. In particular, the impact of growth temperature (up to 900 °C) on the surface morphology, structural, and photoluminescence properties was studied. The diffusion of indirect excitons on the scale of tens of micrometers was measured with a micro-photoluminescence setup equipped with a spatially resolved detection. A dedicated model and its analysis allow us to extract from these measurements the exciton diffusion constant and to conclude on the optimum growth conditions for the GaN/AlxGa1−xN quantum well structures suited for studies of quantum collective effects in indirect exciton liquids.

π-π Stacking Modulation via Polymer Adsorption for Elongated Exciton Diffusion in High-Efficiency Thick-Film Organic Solar Cells.

Developing efficient organic solar cells (OSCs) with thick active layers is crucial for roll-to-roll printing. However, thicker layers often result in lower efficiency. This study tackles this challenge using a polymer adsorption strategy combined with a layer-by-layer approach. Incorporating insulator polystyrene (PS) into the PM6:L8-BO system creates PM6+PS:L8-BO blends, effectively suppressing trap states and extending exciton diffusion length in the mixed donor domain. Adding insulating polymers with benzene rings to the donor enhances π-π stacking of donors, boosting intermolecular interactions and electron wave function overlap. This results in more orderly molecular stacking, longer exciton lifetimes, and higher diffusion lengths. The promoted long-range exciton diffusion leads to high power conversion efficiencies of 19.05% and 18.15% for PM6+PS:L8-BO blend films with 100 and 300nm thickness, respectively, as well as a respectable 16.00% for 500nm. These insights guide material selection for better exciton diffusion, and offer a method for thick-film OSC fabrication, promoting a prosperous future for practical OSC mass production.