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Current–voltage characteristics, space- and time-resolved optical emission spectroscopy, and 1D fluid modeling are used to examine the effect of dual-frequency sheath oscillations on the ion and electron transport in dielectric barrier discharges sustained by a combination of low frequency (LF, 50 kHz, 650 V) and radiofrequency (RF, 5.3 MHz, 195 V) voltages, exhibiting the α-to-γ mode transition. On one hand, when polarities of the LF and RF voltages are opposite, an electric field near the LF cathode (due to LF cathode sheath) drives the secondary electrons to the plasma bulk and an opposite electric field between the sheath edge and the LF anode attracts the electrons toward the LF cathode (to maintain quasi-neutrality in the plasma bulk). At the sheath edge, electrons become trapped and ions drift toward the cathode and the anode simultaneously according to their position in the gap. On the other hand, when the RF voltage has the same polarity as the LF voltage, the total applied voltage increases and this yields to enhanced production of electrons and ions in the sheath. To maintain quasi-neutrality in the bulk, the electric field along the gap exhibits the same polarity as the one in the sheath, allowing electrons created in the sheath to be evacuated toward the LF anode. The behavior of the LF cathode is, therefore, controlled by the LF sheath, and, thus, by the LF voltage amplitude, while the behavior in the bulk and at the anode alternates on the time scale of the RF voltage. [ABSTRACT FROM AUTHOR]

The phenomenon of dielectric breakdown in microwave windows restricts the enhancement of power capacity in high-power microwave systems. This process starts with the secondary electron multiplication, which significantly influences the breakdown threshold. In this study, we developed 3D simulation models for rectangular, circular, and annular windows to examine the secondary electron multiplication on their surfaces using the particle-in-cell method. Through a comparative study, we assessed the effects of various input powers, initial emission current densities from particle sources, and magnetic fields. Our findings reveal that the initial field emission current density, which ranges from 10−9 to 109 μA/cm2, marginally affects electron multiplication. However, increased microwave power (with power density ranging from 0.1 to 18.75 MW/cm2) accelerates this multiplication. Strong magnetic fields and non-uniform electric fields further enhance the electron multiplication process. [ABSTRACT FROM AUTHOR]

A wire-on-well (WoW) structure was fabricated using InGaAs/GaAs/GaAsP superlattice device growth technology. This structure modifies the local concentration of carriers in the quantum well and lengthens the carrier lifetime to increase carrier transport efficiency. However, the reason for this remains unclear. Therefore, we investigated the detailed carrier transition properties using photoluminescence (PL) and photoreflectance measurements. Regarding the PL spectra at 4 K, two characteristic peaks at 1.39 and 1.34 eV were observed. Both transitions are attributed to the recombination between the first quantum level of the electron (e1) and that of the heavy hole (hh1). We also discussed the carrier distribution in the WoW structure and found that the maximum carrier existing probabilities for e1 and hh1 are located at different positions. The less overlapping of the wavefunctions causes low transition probability and results in the observed long carrier lifetime. An additional prominent result in the WoW structure is the blue shift attributed to the 1.34 eV PL peak induced by increasing laser excitation power. We found that the blue shift occurred by the screening of the electric field caused by the compressive strain, as in the case of the quantum-confined Stark effect. [ABSTRACT FROM AUTHOR]

The plasmonic coupling between silver (Ag) and gold (Au) nanoparticles (NPs) under four polarization modes was examined: a longitudinal mode (L-mode), where the electric field of a linearly polarized incident light parallels the dimer axis, and three transverse modes (T-modes), where the electric field of the light is perpendicular to the dimer axis. The coupling was studied using the discrete dipole approximation followed by an in-house postprocessing code that determines the extinction (Qext), absorption (Qabs), and near-field (Qnf) spectra from the individual NPs as well as the whole system. In agreement with the literature results, the extinction/absorption spectra of the whole dimer have two peaks, one near the Ag localized surface plasmon resonance (LSPR) region and the other at the Au LSPR region, with the peak at Ag LSPR being reduced in all modes and the peak at Au LSPR being red-shifted and increased in the L-mode but not in the T-modes. It is further shown that the scattering at the Ag LSPR region is reduced and becomes less than the isolated Ag NPs, but the absorption at the Ag LSPR is increased and becomes greater than the isolated Ag NPs for the 50 nm Ag–Au heterodimer. This suggests that the scattering from Ag NPs is being reabsorbed by the neighboring Au NPs due to the interband electronic transition in Au at that wavelength range. The Qext from the individual NP in the heterodimer shows the presence of the Fano profile on the Au NP but not on the Ag NP. This phenomenon was further investigated by using a dielectric particle (DP) placed near the Ag or Au NPs. The Fano profile appears in the absorbing DP spectra placed near either Ag or Au NPs. However, the Fano profile is masked upon further increases in the refractive index value of the DP particle. This explains the absence of a Fano profile on the Ag NPs in the Ag–Au heterodimer. The large near-field enhancement on both Ag and Au NPs at the Au plasmonic wavelength in the L-mode for large NPs was investigated through a DP-Au system. The large enhancement was shown to arise from a large imaginary component of the DP refractive index and a small real component. Through examination of both the near- and far-field properties of the individual NPs as well as the whole system and examinations of DP-Ag and DP-Au systems, our study provides a new understanding of the couplings between Ag and Au NPs. [ABSTRACT FROM AUTHOR]

As an emerging technology in liquid inactivation, one of the main challenges of pulsed electric fields (PEFs) inactivation lies in quantitatively describing and predicting its lethality to microorganisms. However, due to its cross-scaled complexity and the consequent numerous regulatory factors, there is currently still no unified framework to understand the PEF dose–response relationship and the population dynamics theoretically. In this study, a simple yet powerful model from multiscale coarse-graining method is proposed to simulate the bacterial inactivation in suspensions during PEF processing. The complex dose–response effects at the macroscale are successfully reconstructed from simple evolution rules and several coarse-graining parameters, while considering the damage and death of a single bacterium at the microscale. Our model uncovers the seemingly chaotic and even controversial dose–response relationship of PEF in literatures and systematically explores the regulatory effect of experimental parameters in a unified framework. One of the interesting findings is that PEF with shorter pulsed width enhances lethality and reduces the minimal inhibitory time at a constant energy output per pulse, owing to the phase transitions in three bacterial population dynamics (Bistability mode, Avalanche mode, and Hybrid mode). Our study provides a new insight for numerically modeling PEF lethality in liquid inactivation and could serve as a guide for dosage management in practical applications. [ABSTRACT FROM AUTHOR]

A unique on-chip method for the direct correlation of optical properties, with atomic-scale chemical–structural characteristics for a single quantum dot (QD), is developed and utilized in various examples. This is based on performing single QD optical characterization on a modified glass substrate, followed by the extraction of the relevant region of interest by focused-ion-beam–scanning electron microscope processing into a lamella for high resolution scanning transmission electron microscopy (STEM) characterization with atomic scale resolution. The direct correlation of the optical response under an electric field with STEM analysis of the same particle allows addressing several single particle phenomena: first, the direct correlation of single QD photoluminescence (PL) polarization and its response to the external field with the QD crystal lattice alignment, so far inferred indirectly; second, the identification of unique yet rare few-QD assemblies, correlated directly with their special spectroscopic optical characteristics, serving as a guide for future designed assemblies; and third, the study on the effect of metal island growth on the PL behavior of hybrid semiconductor–metal nanoparticles, with relevance for their possible functionality in photocatalysis. This work, therefore, establishes the use of the direct on-chip optical–structural correlation method for numerous scenarios and timely questions in the field of QD research. [ABSTRACT FROM AUTHOR]

The coupling of an electron gas confined by a harmonic potential and submitted to a strong magnetic field tilted in relation to the confining direction creates an excitation called here magneto-polariton. This work describes the origin of this excitation and calculates the energy eigenvalues for different tilted angles. It presents the reasons leading to the crossings and repulsions of the energy bands, the degeneracy of the states, the way the Fermi levels change with the magnetic field, the influence of an external electric field, and how the Hall resistance plateaus change with the change in the tilted angle. [ABSTRACT FROM AUTHOR]

This study analyzes the regulatory mechanism of oxygen vacancy concentration on tail-to-tail charged domain walls (T–T CDWs), along with the writing time, conduction current magnitude, and retention performance of through-type T–T CDWs. The research results show that the highest density and length of T–T CDWs are achieved when the oxygen vacancy concentration is 1 × 1020 cm−3. Moreover, the successful writing of through-type T–T CDWs is limited to a certain electric field range, which is controlled by oxygen vacancy concentration. An increase in the oxygen vacancy concentration leads to a decrease in the maximum and minimum threshold electric fields required for writing through-type charged domain walls. The writing time and conductivity of through-type T–T CDWs determine the information writing speed and signal strength of domain wall memories, and the oxygen vacancy concentration also plays a regulatory role in both aspects. When the oxygen vacancy concentration is 1 × 1020 cm−3, the through-type T–T CDW exhibits the fastest writing speed, requiring only 8 ns. The magnitude of the conduction current of through-type T–T CDWs is directly proportional to the oxygen vacancy concentration. The through-type T–T CDWs formed by the aggregation of oxygen vacancies exhibit excellent retention performance, making them highly promising for applications in ferroelectric domain wall memories. Our research demonstrates that oxygen vacancies have a significant regulatory effect on the morphology and current response of charged domain walls, opening up new avenues for the study of domain wall memories. [ABSTRACT FROM AUTHOR]

Acoustically actuated magnetoelectric (ME) antennas based on resonant magnetoelectric coupling within ferromagnetic/piezoelectric ME laminated composites have recently been considered as a promising solution for antenna miniaturization. However, its radiation performance has been theoretically overestimated, since the negative effects on performances due to the magnetization saturation and the nonlinear mechanical behavior that occur from high-field driving have not been paid enough attention. This work presents a unique equivalent-circuit-based numerical method to analyze the near-field resonance radiation performances of ME antennas driven by high electric fields. In this method, we establish an equivalent circuit of the converse magnetoelectric effect for a ME laminated composite to describe the operating principle of acoustically actuated electromagnetic radiation. The equivalent parameters related to resonance characteristics are determined by fitting the circuit model to the data from frequency response measurements of the near-field magnetic flux density. The validity of the model is verified by comparing the theoretical predictions with the experimental results, in the view of the volume fraction dependence of the mechanical resonance-related radiation characteristics of the fabricated ME composites. Based on the proposed model, the influence of driving voltage amplitude on near-field radiation performances is further analyzed by experimental fitting to the model, and the potential limiting factors of ME antennas are discussed according to the driving-amplitude dependence of parameters obtained from the fit. This work provides an effective and engineering-friendly approach to predict the evolution of ME antenna performances, leading a way to improve the performance limit for resonant magnetoelectric coupling. [ABSTRACT FROM AUTHOR]

Dielectric interfaces are crucial to the behavior of charged membranes, from graphene to synthetic and biological lipid bilayers. Understanding electrolyte behavior near these interfaces remains a challenge, especially in the case of rough dielectric surfaces. A lack of analytical solutions consigns this problem to numerical treatments. We report an analytic method for determining electrostatic potentials near curved dielectric membranes in a two-dimensional periodic "slab" geometry using a periodic summation of Green's functions. This method is amenable to simulating arbitrary groups of charges near surfaces with two-dimensional deformations. We concentrate on one-dimensional undulations. We show that increasing membrane undulation increases the asymmetry of interfacial charge distributions due to preferential ionic repulsion from troughs. In the limit of thick membranes, we recover results mimicking those for electrolytes near a single interface. Our work demonstrates that rough surfaces generate charge patterns in electrolytes of charged molecules or mixed-valence ions. [ABSTRACT FROM AUTHOR]

Polaritonic states, which are formed by resonances between a molecular excitation and the photonic mode of a cavity, have a number of useful properties that offer new routes to control molecular photochemistry using electric fields. To provide a theoretical description of how polaritonic states affect the real-time electron dynamics in molecules, a new method is described where the effects of strong light–molecule coupling are implemented using real-time electronic structure theory. The coupling between the molecular electronic states and the cavity is described by the Pauli–Fierz Hamiltonian, and transitions between polaritonic states are induced via an external time-dependent electric field using time-dependent configuration interaction (TDCI) theory, producing quantum electrodynamics TDCI (QED-TDCI). This method is used to study laser-induced ultrafast charge transfer and dipole-switching dynamics of the LiCN molecule inside a cavity. The increase in cavity coupling strength is found to have a significant impact on the energies and transition dipole moments of the molecule–cavity system. The convergence of the polaritonic state energies as a function of the number of included electronic and photonic basis states is discussed. [ABSTRACT FROM AUTHOR]

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. [ABSTRACT FROM AUTHOR]

In this work, the piezoelectric properties of chemical solution deposition derived ferroelectric HfO2–CeO2 thin films deposited on platinized silicon substrates are investigated. Large-signal strain-field measurements show an effective piezoelectric coefficient of approximately d 33 , eff = 12.7 pm / V for 17 mol. % cerium under bipolar excitation and d 33 , eff = 8 pm / V under unipolar excitation. Progressive bipolar electric field cycling leads to a reduction in the overall field induced strain although no fatigue with regards to the polarization is observed. To explain this, we propose a model explanation based on changes in the polarization reversal pathway from a primarily ferroelastic, i.e., 90 ° domain wall mediated switching, to a 180 ° type switching. Furthermore, unipolar strain-field measurements reveal a negative intrinsic piezoelectric coefficient in the absence of any ferroelastic contribution, confirming theoretical predictions. The results suggest that the ferroelastic contribution to the field-induced strain needs to be stabilized in Hafnia-based ferroelectric materials to make them more feasible for micro-electromechanical systems. [ABSTRACT FROM AUTHOR]

In this study, the hydrodynamic expansion and splitting effect of ultrafast laser-induced plasma plume for multi-element alloys were studied. A fully coupled hydrodynamic model for femtosecond laser ablation of multi-element alloys was presented to study the ambipolar electric field during the plume expansion process. The model utilized a level-set equation to capture the interface between the condensed phase and the gaseous phase and accounted for the reaction between different species. A time-gate direct fluorescence measurement was conducted for the target material of brass, a Cu–Zn alloy, to validate the simulation results. The simulation results showed good agreement with the experimental results and were able to predict the plume-splitting effect. The ambipolar electric field induced by charged particle distribution difference was studied in detail. It was found that the ambipolar electric field was the dominant cause for the acceleration of ions, which yielded plume splitting during the expansion process. The fully coupled HD model was further used to explore the effect of the beam spot size, laser fluence, and the pulse width on plasma plume splitting. [ABSTRACT FROM AUTHOR]

Electro-osmotic flow (EOF) is a phenomenon where fluid motion occurs in porous materials or micro/nano-channels when an external electric field is applied. In the particular example of single-molecule electrophoresis using single nanopores, the role of EOF on the translocation velocity of the analyte molecule through the nanopore is not fully understood. The complexity arises from a combination of effects from hydrodynamics in restricted environments, electrostatics emanating from charge decorations and geometry of the pores. We address this fundamental issue using the Poisson–Nernst–Planck and Navier–Stokes (PNP–NS) equations for cylindrical solid-state nanopores and three representative protein nanopores (α-hemolysin, MspA, and CsgG). We present the velocity profiles inside the nanopores as a function of charge decoration and geometry of the pore and applied electric field. We report several unexpected results: (a) The apparent charges of the protein nanopores are different from their net charge and the surface charge of the whole protein geometry, and the net charge of inner surface is consistent with the apparent charge. (b) The fluid velocity depends non-monotonically on voltage. The three protein nanopores exhibit unique EOF and velocity–voltage relations, which cannot be simply deduced from their net charge. Furthermore, effective point mutations can significantly change both the direction and the magnitude of EOF. The present computational analysis offers an opportunity to further understand the origins of the speed of transport of charged macromolecules in restricted space and to design desirable nanopores for tuning the speed of macromolecules through nanopores. [ABSTRACT FROM AUTHOR]

The failure of polymeric solid insulation under transient voltages is closely associated with space charge. In this study, DC and AC field dependent conduction characteristics of epoxy resin were investigated using the space charge limited current and high voltage broadband dielectric spectrum methods. The breakdown voltages (BDVs) were examined over a wide range of DC voltage ramp rates. The results reveal a threshold effect of AC conduction loss below 600 Hz with respect to the electric field. By analyzing charge migration laws, a mobility distribution was deduced, with an upper limit of 10 − 9 m 2 V − 1 s − 1 , which is much higher than the measured DC mobility of 10 − 14 m 2 V − 1 s − 1 . A multi-mobility bipolar charge transport model was proposed by introducing the obtained mobility distribution. Compared to the single-mobility model, high-mobility carriers induce larger unblocked space charge currents for high dv/dt voltages, leading to lower values of BDV, which is consistent with experiment results. As the voltage ramp rate decreases, both simulation and experiment demonstrate higher BDVs due to the field shielding effect of homocharges. [ABSTRACT FROM AUTHOR]

The role of strain in material properties is well-established, serving as a tool for altering atomic positions and defect formation, adjusting electronic structures and lattice vibrations, and influencing phase transitions, physical characteristics, and chemical properties. In this study, we conducted theoretical calculations of the binding energy and photoionization cross section (PCS) within a spherical core/shell quantum dot (CSQD) for the different transitions between the ground state of a donor impurity and the four low-lying conduction band states. During our study, we employed the finite element method to determine the energy levels and wave functions of the system within the effective mass approximation. Subsequently, we investigated the changes in PCS and binding energy while varying shell width under the influence of an applied electric field, considering both cases with and without the effect of strain. The strain effect was incorporated based on Hooke's law, and we developed specific expressions and utilized the continuum linear elasticity mechanical model for a single spherically symmetric shell. The results demonstrate that the strain correction enhances the binding energy of the four low-lying energy levels, leading to a shift of the PCS peaks toward higher energies. Conversely, the application of an external electric field has varying effects depending on the specific transition being considered. We compared our theoretical results with available experimental data and found them to be in good agreement. The pronounced blue-shift and substantial enhancement in magnitude of PCS spectra concerning shell width, electric field, and strain make CSQDs highly promising candidates for applications in adjustable nano-optoelectronic devices. [ABSTRACT FROM AUTHOR]

From the microscopic electroporation to the irregular distribution of cell populations, the inactivation efficacy of pulsed electric fields (PEFs) from in vitro experiments has lacked a unified physical model due to its cross-scale complexity. Inspired by a coarse-grained approach from the percolation theory, the inactivation process is simulated from a simple yet robust lattice model, where the spatiotemporal heterogeneity of the collective structure and the stochastic PEF strike are portrayed as random matrices, while also accounting for the rules of single-cell electroporation and subsequent death. Beyond successfully simulating the inactivation of monolayer adherent cells and suspended cells, which are in good agreement with in vitro results, our model reveals that (1) macroscopically three-staged inactivation pattern originates from the "accelerate–uniform–decelerate" transition of inactivation velocity, and (2) the inactivation patterns obey a universal scaling law under varied field strength, which is not satisfied under varied pulsed widths. The simulation not only sheds light on the PEF inactivation of the macroscopic cell collectives but also provides a simple and generalized numerical method for predicting PEF efficacy in experiments or engineering. [ABSTRACT FROM AUTHOR]

As one of the promising room temperature nuclear radiation detection materials, the all-inorganic perovskite CsPbBr3 single crystal has been receiving much attention in recent years. Even though the performance of the CsPbBr3 detector is improving continuously, the disadvantages of detection instability have not been solved fundamentally, and this instability is mainly caused by ionic migration in the CsPbBr3 single crystal itself. In this paper, a reasonable ionic migration model is proposed based on an in-depth study of the current hysteresis phenomenon and ionic migration mechanism in the Ti/CsPbBr3/Ti detector. The model shows that the ions migrate to the anode or cathode under an external electric field, and the accumulated ions subsequently form an inverted internal electric field inside the crystal and carrier transport barriers at the metal–semiconductor interface simultaneously. The photoelectric characteristic and ionic migration activation energy (E a i o n) fitting results also prove the rationality of the ionic migration model. Furthermore, the ionic migration model can also be used to explain the left-shift of the energy response peak and the decrease in the normalized charge collection efficiency in the Ti/CsPbBr3/Ti detector. This paper systematically investigates the intrinsic origin of migrated ions and the influence of ionic migration on detection stability, which will provide a potential solution to improve detection stability by suppressing ionic migration in the near future. [ABSTRACT FROM AUTHOR]

The dependence of the dielectric permittivity of ferroelectric materials on electric field magnitude impacts the performance of ferroelectric devices. In a ferroelectric generator, a shock wave travels through the ferroelectric element and depolarizes it, and surface charges are released from the element electrodes, resulting in the generation of a megawatt power level for several microseconds. The dielectric properties of the compressed and uncompressed zones of the ferroelectric element affect the generated voltage and energy. The results of previous studies indicate that the low-field dielectric permittivity of poled Pb0.99(Zr0.95Ti0.05)0.98Nb0.02O3 (PZT 95/5) ferroelectrics in the uncompressed zone differs significantly from the high-field permittivity. Herein, the results are presented from the experimental investigation of the high-field permittivity of poled uncompressed PZT 95/5 ferroelectric ceramics and films, PZT 52/48 ferroelectric ceramics, and rhombohedral 0.27Pb(In1/2Nb1/2)O3–0.47Pb(Mg1/3Nb2/3)O3–0.26PbTiO3 (0.27PIN-PMN-0.26PT) and 0.68Pb(Mg1/3Nb2/3)O3–0.32PbTiO3 (0.68PMN-0.32PT) ferroelectric single crystals. The dependences of the permittivity on the electric field were determined using a pulsed electric field ranging from 0.1 to 10 kV/mm. The data indicate that the application of a pulsed high electric field results in a fourfold increase in the relative permittivity of PZT 95/5 ceramics and films over the small signal value (from 300 to 1200), and a threefold increase in the permittivity of single-domain [111]c cut and poled 0.27PIN-PMN-0.26PT crystals (from 700 to 2100), while a high electric field does not have a significant impact on the permittivity of PZT 52/48 ceramics or 0.27PIN-PMN-0.26PT and 0.68PMN-0.32PT crystals cut and poled in the domain engineered [001]c or [011]c direction. [ABSTRACT FROM AUTHOR]

Experimental findings by others suggest that OH radicals are formed in unexpected abundance on or near surfaces of 1–50 µm microdroplets comprised of pure water, but the mechanism by which these radicals are generated is not yet fully resolved. In this work, we examine two possibilities using ab initio electronic structure methods: (1) electron transfer (ET) from a microdroplet surface-bound OH− anion to a nearby H3O+ cation and (2) proton transfer (PT) from such a H3O+ cation to a nearby OH− anion. Our findings suggest that both processes are possible but only if the droplet's underlying water molecules comprising the microdroplet provide little screening of the Coulomb interaction between the anion and cation once they reach ∼10 Å of one another. In the ET event, an OH radical is formed directly; for PT, the OH formation occurs because the new O–H bond formed by the transferred proton is created at a bond length sufficiently elongated to permit homolytic cleavage. Both the ET and PT pathways predict that H atoms will also be formed. Finally, we discuss the roles played by strong local electric fields in mechanisms that have previously been proposed and that occur in our two mechanisms. [ABSTRACT FROM AUTHOR]

Gallium oxide (G a 2 O 3 ) is a promising ultra-wide bandgap material offering a large bandgap (> --> 4.7 eV) and high critical electric fields. The increasing demand for electronic devices for high-power applications in electric automobiles, high-performance computing, green energy technologies, etc., requires higher voltages and currents with enhanced efficiency. Vertical transistors, such as fin-shaped field-effect transistors (FinFETs) have emerged to meet the growing need with improved current handling capabilities, reduced resistance, and enhanced thermal performance. However, to fully exploit the Ga 2 O 3 power transistors, precise and reliable physics-driven models are crucial. Therefore, a comprehensive surface potential model has been developed in this work for a vertical Ga 2 O 3 FinFET. The electric potential across the channel is explained by analyzing the two-dimensional (2D) Poisson equation employing parabolic approximation. Such a surface potential model is instrumental in determining the performance of the Ga 2 O 3 FinFET as it affects the threshold voltage, the drain current, and fringing capacitance. Exploiting the surface potentials, a fringing capacitance model is derived which is crucial in analyzing the speed of the device in compact integrated circuits. In addition, statistical analysis of the Ga 2 O 3 FinFET using the Monte Carlo simulation technique is performed to determine the leakage current fluctuation due to doping variations. The validation of the analytical model with experimental results confirms the effectiveness and prospects of the developed models in the rapid development and characterization of next-generation high-performance vertical Ga 2 O 3 power transistors. [ABSTRACT FROM AUTHOR]

The on-demand assembly of 2D heterostructures has brought about both novel interfacial physical chemistry and optoelectronic applications; however, existing studies rarely focus on the complementary part—the 2D cavity, which is a new-born area with unprecedented opportunities. In this study, we have investigated the electric field inside a spacer-free 2D cavity consisting of a monolayer semiconductor and a gold film substrate. We have directly captured the built-in electric field crossing a blinking 2D cavity using a Kelvin probe force microscopy–Raman system. The simultaneously recorded morphology (M), electric field (E), and optical spectroscopy (O) mapping profile unambiguously reveals dynamical fluctuations of the interfacial electric field under a constant cavity height. Moreover, we have also prepared non-blinking 2D cavities and analyzed the gap-dependent electric field evolution with a gradual heating procedure, which further enhances the maximum electric field exceeding 109 V/m. Our work has revealed substantial insights into the built-in electric field within a 2D cavity, which will benefit adventures in electric-field-dependent interfacial sciences and future applications of 2D chemical nanoreactors. [ABSTRACT FROM AUTHOR]

We have analyzed and modeled the reverse-biased gate leakage current in a Schottky-gate AlGaN/GaN high electron mobility transistor. While the Poole–Frenkel emission current along conductive threading dislocations dominates at low negative gate bias, the trap-assisted tunneling of thermally energized electrons and the thermal emission of electrons from threading dislocations aided by dislocation-related states at multiple energy levels within the AlGaN bandgap are dominant at moderate to large reverse bias. Additionally, deep trap levels of high density localized near the gate/AlGaN interface cause significant leakage at 473 K at low to moderate reverse bias, which could be specific to the device we have analyzed. We extracted about 10 12 cm − 2 traps near the AlGaN/GaN interface from the difference of the barrier layer electric field profile obtained from the experimental high-frequency capacitance–gate voltage and the one needed for final matching. The thermionic- and the thermionic field-emission currents are considerably low; the latter, however, dominates in the defect-free case. Finally, the simulation framework we developed here helped us identify various conduction mechanisms contributing to the reverse-biased gate leakage and the density and electronic structure of the responsible defects. [ABSTRACT FROM AUTHOR]

The high built-in polarization field is a fingerprint of III-nitride heterostructures. Alloy composition and doping profile significantly affect the magnitude of the electric field present in subsequent layers, but the sign of the electric field is usually defined by substrate polarity and external bias. Here, we propose to utilize acceptor and donor doping concentrations exceeding 1020 cm−3 to obtain a high junction field that can solely abolish built-in polarization for a polar (0001) InGaN/GaN quantum well (QW). We have used photoluminescence (PL), time-resolved PL (TRPL), and contactless electroreflectance in order to gain insight into the strength of the electric field present in the grown heterostructures. Good match between expected and measured electric field values was obtained. A dramatic decrease in the luminescence lifetime for a flat QW was confirmed using TRPL. The presented results open a way to realize devices that profit from the low built-in field, like photodetectors, using abundant polar substrates. [ABSTRACT FROM AUTHOR]

Optical metamaterials, sensing, nonlinear optics, and surface-enhanced spectroscopies have witnessed the remarkable potential of the anapole mode. While dielectric particles with a high refractive index have garnered significant attention in recent years, the exploration of plasmonic anapole modes with intense localized electric field enhancements in the visible frequency range remains limited. In this study, we present a theoretical investigation on the relationship between the strongest near-field response and magnetic anapole modes, along with their substantial enhancement of Raman signals from probing molecules. These captivating findings arise from the design of a practical metallic oblate spheroid–film plasmonic system that generates magnetic anapole resonances at frequencies within the visible–near-infrared range. This research not only sheds light on the underlying mechanisms in a wide range of plasmon-enhanced spectroscopies but also paves the way for innovative nano-device designs. [ABSTRACT FROM AUTHOR]

We review the concept of ultranonlocality in density functional theory and the relation between ultranonlocality, the derivative discontinuity of the exchange energy, and the static electric response in extended molecular systems. We present the construction of a new meta-generalized gradient approximation for exchange that captures the ultranonlocal response to a static electric field in very close correspondence to exact exchange, yet at a fraction of its computational cost. This functional, in particular, also captures the dependence of the response on the system size. The static electric polarizabilities of hydrogen chains and oligo-acetylene molecules calculated with this meta-GGA are quantitatively close to the ones obtained with exact exchange. The chances and challenges associated with the construction of meta-GGAs that are intended to combine a substantial derivative discontinuity and ultranonlocality with an accurate description of electronic binding are discussed. [ABSTRACT FROM AUTHOR]

In this work, we studied the free-carrier transport properties and space-charge formation/polarization in a CdZnTe bar-shaped radiation detector using the Laser-Induced Transient Current technique. We found out that a steady-state space charge ranging from 8 × 108 to 2.1 × 109 cm−3 is formed throughout the detector at about 0.5 s following biasing. The measured current waveforms were modeled by Monte Carlo simulations after taking into account the electric and weighting fields inside the detector and shielding box. Modeling of the unpolarized waveforms revealed an exceptionally high electron mobility-lifetime product μ e τ e ≥ 0.095 c m 2 V − 1 . The observed formation of positive space charge in the biased detector and linear scaling of the current waveform shapes on applied bias revealed that the detector polarization is attributed to carrier injection at the anode. Measurements in pulsed and DC bias in modified electrode geometry proved the surface-charge formation. [ABSTRACT FROM AUTHOR]

PbTiO 3 is a prototypical ferroelectric perovskite that is known to undergo a temperature driven ferroelectric tetragonal to paraelectric cubic phase transition, but the understanding of some key phenomena and associated mechanisms underlying this transition remains unclear. Here, using molecular dynamics simulations based on first-principles effective Hamiltonian, we show the behaviors of the phase transition temperature T c and adiabatic temperature change Δ T of PbTiO 3 under an external electric field and tensile stress along the [001] direction. Our results show that the electric field E induces rising T c via a linear relation T c ∝ 0.3083 E , rendering the phase transition to go from first-order with thermal hysteresis to second-order without thermal hysteresis above ∼ 200 kV/cm; meanwhile, a maximum electrocaloric response Δ T m a x ∼ 34 K is obtained under E = 500 kV/cm. Moreover, external stress (σ z) causes rising T c via a linear relation T c ∝ 160 σ z and improves the electrocaloric response Δ T m a x when combined with the electric field. The present results offer insights into the physical processes and mechanisms that dictate finite-temperature properties of ferroelectric perovskite oxides, laying a foundation for further exploration of this intriguing class of materials. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) ferrovalley semiconductor materials with intrinsic spontaneous valley polarization offer new prospects for valley electronics applications. However, there are only a limited number of known promising candidate materials, which are in urgent need of expansion. In particular, the room-temperature 2D ferrovalley materials are still lacking. In this study, we predicted novel 2D ferromagnetic CeX 2 (X=Fe,Cl,Br) monolayers by using first-principles calculations. The monolayer CeX 2 is a bipolar magnetic semiconductor with robust dynamical and thermal stabilities, and easy magnetization direction is in the plane. Due to the simultaneous breaking of both inversion symmetry and time-reversal symmetry, the monolayer CeX 2 is exhibiting a spontaneous intrinsic valley polarization when magnetized along the out-of-plane z direction. Interestingly, monolayer CeBr 2 is a spontaneous intrinsic ferrovalley material with a room temperature of 334 K and an obvious valley splitting of 32 meV. Due to the non-zero valley-contrast Berry curvature, monolayer CeBr 2 is a candidate materials for realizing the anomalous valley Hall effect under a suitable applied electric field. Our study provides a theoretical reference for the design of valley electronic devices with anomalous valley Hall effect based on hole-doped CeX 2. [ABSTRACT FROM AUTHOR]

Quantum walks are the quantum counterpart of classical random walks and have various applications in quantum information science. Polar molecules have rich internal energy structure and long coherence time and thus are considered as a promising candidate for quantum information processing. In this paper, we propose a theoretical scheme for implementing discrete-time quantum walks on a circle with dipole–dipole coupled SrO molecules. The states of the walker and the coin are encoded in the pendular states of polar molecules induced by an external electric field. We design the optimal microwave pulses for implementing quantum walks on a four-node circle and a three-node circle by multi-target optimal control theory. To reduce the accumulation of decoherence and improve the fidelity, we successfully realize a step of quantum walk with only one optimal pulse. Moreover, we also encode the walker into a three-level molecular qutrit and a four-level molecular ququart and design the corresponding optimal pulses for quantum walks, which can reduce the number of molecules used. It is found that all the quantum walks on a circle in our scheme can be achieved via optimal control fields with high fidelities. Our results could shed some light on the implementation of discrete-time quantum walks and high-dimensional quantum information processing with polar molecules. [ABSTRACT FROM AUTHOR]

Millimeter-thick methylammonium lead tribromide (MAPbBr3) single crystal x-ray detectors have recently raised attention due to their high x-ray attenuation efficiency and good charge transport properties. However, an intriguing feature of the photocurrent response of MAPbBr3 detectors has been largely overlooked in the literature. After biasing, transient sensitivity is measured under x rays at short-circuit (bias = 0 V), thus revealing a large remnant electric field that builds up under bias. Here, we exploit the x-ray sensitivity of MAPbBr3 detectors at zero-bias in order to probe the internal built-in field, as well as to investigate the charge transport properties of the perovskite material. Our model derived from the Hecht equation is able to fully rationalize the response of the detectors both at short-circuit and under moderate applied bias. Moreover, we provide a method for the estimation of the internal electric field, and for the sum of the electrons and holes mobility–lifetime products μ e τ e + μ h τ h. This general method could extend to any perovskite-based x-ray detector exhibiting transient sensitivity at zero-bias. [ABSTRACT FROM AUTHOR]

A non-destructive method for detecting sub-micrometer-sized micropipes on an entire wafer surface is investigated. Since it is difficult to detect sub-micrometer-sized micropipes due to their small core size, a non-destructively and accurately detecting method is required. To solve the issue, we focus on a characteristic depression generated around micropipes, namely, line-shaped depressions. In this paper, the location of line-shaped depressions is identified by using optical inspection, and the line-shaped depressions are distinguished whether micropipes exhibit line-shaped depression or not by using mirror electron microscope observation as high-resolution inspection. The accuracy of the distinction results is confirmed by scanning electron microscope observation, and electrical characteristics of the P–N diode are fabricated using the inspected wafer. Furthermore, the sub-micrometer-sized micropipes are observed at the sites of leakage current identified by emission microscopy. Additionally, device simulation of the blocking-voltage characteristics of P–N diodes suggests that the increase in leakage current depends on the electric field at the sub-micrometer-sized micropipes, regardless of their core size. [ABSTRACT FROM AUTHOR]

The effects of La/Ho co-substitution on multiferroic characteristics were investigated for BiFeO3 ceramics together with structure evolution. The symmetry in Bi1−x(La0.65Ho0.35)xFeO3 ceramics changed from R3c to Pna21 and finally Pbnm with increasing x. Ferroelectricity was significantly improved with La/Ho co-substitution, and Pr reached the maximum of 30.9 μC/cm2 at 160 kV/cm at x = 0.16, where the R3c/Pna21 morphotropic phase boundary was determined. The weak ferromagnetism was released as the symmetry changed from R3c to Pna21, and subsequently the saturated M–H loop could be determined gradually with increasing x, and Mr increased continuously. The electric field-controlled magnetism could be characterized by the significant magnetism variation due to the electric field-induced transition of Pna21/R3c, which occurred during the poling process, and this transition became reversible by the help of annealing after poling. Compared with the situation of Bi1−xNdxFeO3 (the ion radius is the same as the effective one of La0.65Ho0.35), the present co-substituted BiFeO3 ceramics exhibited superior electric field-induced transition of Pna21/R3c with a maximum change rate of 47.03% in remanent magnetization under an electric field, which enhanced the magnetoelectric effect. [ABSTRACT FROM AUTHOR]

The luminescence efficiency of AlxGa1−xN quantum dots (QDs) and quantum wells (QWs), buried in AlN cladding layers and emitting in the ultraviolet range between 234 and 310 nm, has been investigated. The growth and optical properties have been done using similar aluminum composition (varying from 0.4 to 0.75) for both QDs and QWs. In order to compare as much as possible the optical properties, the QWs were fabricated with a growth time tuned such that the QW width is similar to the average height of the QDs. The photoluminescence (PL) showed emission ranging from 4 to 5.4 eV, putting into evidence differences in terms of full width at half maximum, PL intensity, and asymmetry of the line shape between QDs and QWs. The results show shorter wavelengths and a slightly narrower PL linewidth for QWs. To determine the light emission dependence with the electric field direction in the crystal, the evolutions of the emission diagrams for all samples were recorded along two orthogonal directions, namely, the "in-plane" (growth) and the "on-side" directions, from which the light emission was collected. For the whole QDs and QWs samples' series, the shapes of the emission diagram indicate emission in both in-plane and on-side directions, as evidenced by intra-valence band mixings caused by strain effects combined with the anisotropic Coulomb interactions that are particularly contributing to the polarization at wavelengths below 260 nm. Furthermore, the degree of polarization, determined for each sample, showed good agreement with results from the literature. [ABSTRACT FROM AUTHOR]

This article employs fluid equations to analyze muon beams in gases subject to crossed electric and magnetic fields, focusing, in particular, on a scheme proposed by Taqqu [Phys. Rev. Lett. 97, 194801 (2006)], whereby transverse compression of the beam is achieved by creating a density gradient in the gas. A general criterion for maximizing beam compression, derived from first principles, is then applied to determine optimal experimental conditions for μ+ in helium gas. Although the calculations require the input of transport data for (μ+, He), which are generally unavailable, this issue is circumvented by "aliasing" (μ+, He) with (H+, He), for which transport coefficient data are available. [ABSTRACT FROM AUTHOR]

In this series, we outline a strategy for analyzing electrons and muons in gases in crossed electric and magnetic fields using the straightforward transport equations of momentum-transfer theory, plus empirical arguments. The method, which can be carried through from first principles to provide numerical estimates of quantities of experimental interest, offers a straightforward, physically transparent alternative to "off-the-shelf" simulation packages, such as Magboltz and GEANT. In this first article, we show how swarm data for electrons in helium gas subject to an electric field only can be incorporated into the analysis to generate electron swarm properties in helium gas in crossed electric and magnetic fields and to estimate the Lorentz angle in particular. The subsequent articles in the series analyze muons in crossed fields using similar transport theory, though the absence of muon swarm data requires empiricism of quite a different nature. [ABSTRACT FROM AUTHOR]

Electrospinning is an important technique to fabricate nanofibers. In recent years, near-field electrospinning (NFES) has been developed to enhance the control of nanofiber deposition compared to conventional electrospinning, achieved by reducing the operating distance and electric field. This enables the construction of high-aspect ratio 3D structures in a self-aligned, layer-by-layer manner. However, the alignment of fiber deposition can be hindered by charge accumulation in the polymer fibers. Furthermore, a theoretical understanding of the underlying fiber deposition mechanism is still lacking. Herein, we present a numerical model for studying the charge transport, dissipation, and accumulation of NFES polymer fiber deposition. The model reveals that the presence of a trapped state in polymeric materials imposes limitations on the quality of charged fiber deposition. Moreover, the effect of different substrate materials on charge dissipation in fiber deposition is studied. To validate the model, we compare the simulation results with NFES experiments, demonstrating qualitative agreement. We also analyze the effect of the fiber materials and experimental parameters on the printing quality. This model provides an approach to analyze and optimize the operating parameters of NFES to achieve precise and stable nanofiber deposition. [ABSTRACT FROM AUTHOR]

Designing and predicting self-organized pattern formation in out-of-equilibrium chemical and biochemical reactions holds fundamental significance. External perturbations like light and electric fields exert a crucial influence on reaction-diffusion systems involving ionic species. While the separate impacts of light and electric fields have been extensively studied, comprehending their combined effects on spatiotemporal dynamics is paramount for designing versatile spatial orders. Here, we theoretically investigate the spatiotemporal dynamics of chlorine dioxide-iodine-malonic acid reaction-diffusion system under photo-illumination and circularly polarized electric field (CPEF). By applying CPEF at varying intensities and frequencies, we observe the predominant emergence of oscillating hexagonal spot-like patterns from homogeneous stable steady states. Furthermore, our study unveils a spectrum of intriguing spatiotemporal instabilities, encompassing stripe-like patterns, oscillating dumbbell-shaped patterns, spot-like instabilities with square-based symmetry, and irregular chaotic patterns. However, when we introduce periodic photo-illumination to the hexagonal spot-like instabilities induced by CPEF in homogeneous steady states, we observe periodic size fluctuations. Additionally, the stripe-like instabilities undergo alternating transitions between hexagonal spots and stripes. Notably, within the Turing region, the interplay between these two external influences leads to the emergence of distinct superlattice patterns characterized by hexagonal-and square-based symmetry. These patterns include parallel lines of spots, target-like formations, black-eye patterns, and other captivating structures. Remarkably, the simple perturbation of the system through the application of these two external fields offers a versatile tool for generating a wide range of pattern-forming instabilities, thereby opening up exciting possibilities for future experimental validation. [ABSTRACT FROM AUTHOR]

The domain reversal dynamics of the pristine and 10 wt. % BiFeO3 nanoparticle-embedded P(VDF-TrFE) (polyvinylidene fluoride-trifluoroethylene) flexible ferroelectric membranes were investigated. A scaling relation of A∝fαE0β relevant to the domain reversal dynamics was eventually determined. The pristine P(VDF-TrFE) flexible membrane takes the form of A∝f0.04077E00.39748 in stage III of high electric fields. Nevertheless, for BiFeO3-embedded P(VDF-TrFE) [BFO/P(VDF-TrFE)] flexible membranes, the relations are developed as A∝f−0.3326E02.74911 in the low electric fields of stage I and as A∝f0.04309E01.04872 in stage III separately. The negative α indicates that more and more domain reversal lags behind the alternating periodic electric field in stage I. Instead, in stage III, the positive α indicates that most domain reversals can occur anytime whatever the alternating speed of electric fields is. Analogously, the positive β indicates that at any selected frequency, domains can flip at an external electric field. Abnormally, for the pristine P(VDF-TrFE) membrane, the scaling relation in the first E0 stage is broken, reflecting only dielectric contributions this time. The dynamic scaling data are significant for the micromechanism accomplishments of copolymers and for the designs of flexible electric devices. [ABSTRACT FROM AUTHOR]

Physical aging is the process of a system evolving toward a new equilibrium, and thus the response to a change in external parameters such as temperature T, pressure p, or static electric field E. Using a static electric field has been shown to access physical aging above the glass transition temperature Tg, in the regime of milliseconds or faster, but the relation to its temperature jump counterpart has not been investigated to date. This work compares temperature and field induced physical aging in the limit of small perturbations for supercooled tributyl phosphate. It is found that both structural recovery dynamics are very similar, and that they match the collective reorientational dynamics as observed by dielectric relaxation. The results facilitate expanding the range of aging experiments to well above Tg, where a comparison with structural relaxation in equilibrium is straightforward, thus improving models of structural recovery and physical aging. [ABSTRACT FROM AUTHOR]

Two-surface multipactor with a Gaussian-type waveform of rf electric fields is investigated by employing Monte Carlo simulations and 3D electromagnetic particle-in-cell simulations. The effects of the full width at half maximum (FWHM) of the Gaussian profile on multipactor susceptibility and the time dependent dynamics are studied. The threshold peak rf voltage, as well as the threshold time-averaged rf power per unit area for multipactor development, increases with a Gaussian-type electric field compared to that with a sinusoidal electric field. The threshold peak rf voltage and rf power for multipactor susceptibility increase as the FWHM of the Gaussian profile decreases. Compared to sinusoidal RF operation, the expansion of multipactor susceptibility bands is observed. In the presence of space charge, a high initial seed current density can shrink the multipactor susceptibility bands. The effect of space charge on multipactor susceptibility decreases as the FWHM of the Gaussian profile decreases. Decreasing the FWHM of the Gaussian electric field can reduce the electron population corresponding to the strength of the multipactor at saturation, at fixed time-averaged input power. [ABSTRACT FROM AUTHOR]

The lattice mismatch, defect, and weak interlayer coupling severely constrain the practical application of van der Waals heterojunctions (vdWHs) in the field of optoelectronic devices. Here, we introduced the 2D ferroelectric (FE) material AgBiP2Se6 to construct defect-free, low lattice-mismatched AgBiP2Se6/MoSe2 heterojunctions with different polariton directions (I, II, III). The AgBiP2Se6 layer can provide an excellent FE electric field to enhance the interlayer coupling and stiffness. The larger interlay stiffness reduces the probability of electron–phonon scattering and then results in significant carrier mobility (∼0.5 × 104 cm2 V−1 s−1) for configurations I and II. Phase transition of FE to paraelectric AgBiP2Se6 in the AgBiP2Se6/MoSe2 heterojunctions can be achieved under specific biaxial strain, which can effectively regulate the electronic structure. Applying the strain and electric field can regulate the bandgap and band alignment of configurations I and II. The photoelectric conversion efficiency of configuration I can reach as high as 20.54% under 2% biaxial strain. Furthermore, configuration II holds a nearly free electron state near the Fermi level under an electric field, which can act as a favorable electron transport channel. A design to strengthen interlayer coupling in the FE-based AgBiP2Se6/MoSe2 heterojunction has been proposed, and it can provide a new way to break through the traditional bottleneck in the development of optoelectronic devices. [ABSTRACT FROM AUTHOR]

A polycrystalline ZnO film is grown on a silicon substrate by the pulsed laser deposition method, and the electric field-induced magnetization in ZnO using an optical cantilever beam magnetometer setup is studied. The magnetization vs bipolar dc electric field measurements reveal the occurrence of magnetization switching in the ZnO film. The magnetization switching in the presence of an electric field is ascribed to the converse magnetoelectric (ME) coupling that takes place between the electrical and the magnetic order parameters existing in the ZnO film. We have found the strain-driven magnetization change as evidenced by the butterfly shape of the magnetization vs the electric field curve. A saturation magnetization of 13.31 MA/m is obtained. Moreover, a significant value of the ME coupling coefficient (α) (1.61 × 10−7 s/m) has also been reported in this article. The emergence of electric field-induced magnetization in a single polycrystalline ZnO film is regarded to be a very promising aspect in designing high-density energy-efficient spintronic and different multifunctional devices. [ABSTRACT FROM AUTHOR]

In the paper, a metasurface is investigated, the unit cell of which consists of two resonators. We show that the breaking of the axial symmetry of the unit cell in such a structure leads to the appearance of two Fano resonances instead of one that is characteristic of the symmetric unit cell. The two resonances are different, one of which is symmetric and the other is asymmetric. This is confirmed by calculating the phases of currents in the adjacent resonators. Modeling results are confirmed by experimental investigation of the metasurface spectrum in a microwave frequency range showing two resonances measured experimentally. A detailed study of the currents flowing in the adjacent resonators of the unit cell demonstrates that currents at the Fano resonance dips flow either in phase or in antiphase with respect to the external electric field, whereas in peaks this difference is π /2. This confirms the interference nature of the Fano effect. [ABSTRACT FROM AUTHOR]

Morphotropic phase boundary of ferroelectric solid solutions attracts interest with respect to not only improved piezoelectric properties but also the electrocaloric effect, which is attractive to build new-generation cooling devices. In the present study, the electrocaloric effect in (1 − x − y)Na0.5Bi0.5TiO3–xBaTiO3–yNaNbO3 near its morphotropic phase boundary is studied by direct measurements of temperature change ΔT. ΔT maximum is observed in the region of depolarization temperature, where the major contribution comes from an entropy jump at the electric field-induced phase transition. Differences between ΔT values measured when an electric field pulse is applied and removed are explained by slow domain rearrangement in the ferroelectric phase and metastability of phases close to the depolarization temperature. Among studied compositions, the highest value of ΔT is obtained for the compositions 0.94Na0.5Bi0.5TiO3–0.06BaTiO3 and 0.93Na0.5Bi0.5TiO3–0.06BaTiO3–0.01NaNbO3 in the region of depolarization temperature. Examples of the comparison of the directly measured values of ΔT and the values calculated using the Maxwell relation revealing inconsistency between the two methods in the ferroelectric and the nonferroelectric phase are presented. [ABSTRACT FROM AUTHOR]

The use of oriented external electric fields (OEEFs) as a potential tool for catalyzing chemical reactions has gained traction in recent years. Electronic structure calculations using OEEFs are commonly done using methods based on density functional theory (DFT), but until now, the performance of DFT methods for calculating molecules in OEEFs had not been assessed in a more general scope. Looking at the accuracy of molecular geometries, electronic energies, and electric dipole moments compared to accurate coupled-cluster with perturbative triples data, we have investigated a wide variety of density functionals using different basis sets to determine how well the individual functionals perform on various types of chemical bonds. We found that most functionals accurately calculate geometries in OEEFs and that small basis sets are sufficient in many cases. Calculations of electronic energies show a significant error introduced by the OEEF, which the use of a larger basis set helps mitigate. Our findings show that DFT methods can be used for accurate calculations in OEEFs, allowing researchers to make full use of the advantages that they bring. [ABSTRACT FROM AUTHOR]

The importance of microwave device reliability and performance for microscale devices motivates a more fundamental understanding of breakdown mechanisms in this regime. Microwave breakdown theories predict breakdown when electron production balances electron loss. Electron production depends strongly on the ionization rate ν i ; however, previous studies either used the measured ν i in macroscale gaps or the empirical formula for DC voltage, inaccurately predicting ν i in microscale gaps. Alternatively, this work characterizes ν i in microwave microplasmas by using particle-in-cell simulations. We calculated ν i in argon gas at atmospheric pressure for 2–10 μm gaps under AC fields ranging from 1 to 1000 GHz. The behavior of ν i may be separated into two regimes by defining a critical frequency f c r that depends on the amplitude of the applied voltage, gap distance, and pressure. For frequency f < f c r , the electrodes collect the electrons during each cycle and the electron number oscillates with the electric field, causing ν i / f to roughly scale with the reduced effective field E e f f / p. For f > --> f c r , the phase-space plots indicate that the electrons are confined inside the gap, causing the electron number to grow exponentially and v i / p to become a function of E e f f / p. These results elucidate the ionization mechanism for AC fields at microscale gap distances and may be incorporated into field emission-driven microwave breakdown theories to improve their predictive capability. [ABSTRACT FROM AUTHOR]

The discharge mode of a multi-hollow dielectric barrier discharge (MHDBD) plays an important role in the treatment outcomes but has not been well studied. In this study, an MHDBD is fabricated to investigate the discharge characteristics and the mode transition from both electric and optical perspectives. Three discharge modes are recognized with the increase of the applied voltages: inner-wall discharge, mode A (12–13.3 kV); hole-inside discharge, mode B (13.4–14.3 kV); and hole-surface hybrid discharge, mode C (≥14.4 kV). It is found that the transferred charges and the produced reactive species increase slowly in mode A, then augment rapidly in mode B, and finally saturate in mode C. The micro-process of the mode transition shows that the discharging domain initiates at the edge of the hole (mode A), subsequently extends toward the center (mode B), and ultimately extends beyond the hole boundary (mode C). To further understand these transitions, finite element simulations and an equivalent circuit model of MHDBD are conducted, which reveal enhanced discharge strength and discharge area as the system progresses from mode A to mode B and C. The speculative mechanism of a mode transition involves the variation of the electric field distribution and the resulting acceleration of the electrons, and the following collision responses. Additionally, the effect of pulse frequency and hole diameter of the MHDBD on the mode transition conditions is also investigated, and the results show that higher frequencies are easier to prone mode transition, while large holes have fewer discharge modes. [ABSTRACT FROM AUTHOR]

We demonstrate the possibility of a coupling between the magnetization direction of a ferromagnet and the tilting angle of adsorbed achiral molecules. To illustrate the mechanism of the coupling, we analyze a minimal Stoner model that includes Rashba spin–orbit coupling due to the electric field on the surface of the ferromagnet. The proposed mechanism allows us to study magnetic anisotropy of the system with an extended Stoner–Wohlfarth model and argue that adsorbed achiral molecules can change magnetocrystalline anisotropy of the substrate. Our research aims to motivate further experimental studies of the current-free chirality induced spin selectivity effect involving both enantiomers. [ABSTRACT FROM AUTHOR]