Plane Wave Research Articles

Investigating the structural, electronic, and magnetic properties of Cd1-xVxTe: Insights from First-Principles calculations

In our study, we aim to investigate the structural, electronic, and magnetic properties of CdVTe, a diluted magnetic semiconductor with a Cadmium telluride (CdTe) structure. To achieve this, we employ the full potential linear augmented plane wave method implemented in the CASTEP code, which allows us to accurately simulate the behavior of the system. To describe the electronic exchange and correlation effects, we adopt the generalized gradient approximation (GGA) within the density functional theory (DFT) framework. This choice of methodology ensures reliable and accurate calculations of the electronic and magnetic properties of Cd1-xVxTe. Our results reveal that the substitution of Vanadium (V) into the Cadmium (Cd) site of the CdTe lattice does not alter the zinc blende crystal structure, demonstrating the stability and structural integrity of the system. Furthermore, our calculations demonstrate that the introduction of Vanadium impurities leads to spin polarization within the material, resulting in the emergence of a magnetic moment. Notably, we find that a Vanadium concentration of approximately x≈0.12 exhibits the strongest magnetic properties, characterized by a significant magnetic moment. These findings provide valuable insights into the behavior and potential applications of CdVTe as a diluted magnetic semiconductor, shedding light on the interplay between structural, electronic, and magnetic properties in this material.

Dark solitons and their bound states in a nonlinear fiber with second- and fourth-order dispersion

We study the excitations of dark solitons in a nonlinear optical fiber with the second- and fourth-order dispersion, and find the emergence of striped dark solitons (SDSs) and some multi-dark-soliton bound states. The SDSs can exhibit time-domain oscillating structures on a plane wave, and they have two types: the ones with or without the total phase step, while the multi-dark-soliton bound states exhibit different numbers of amplitude humps. By the modified linear stability analysis, we regard the SDSs as the results of the competition between periodicity and localization, and analytically give their existence condition, oscillation frequency, and propagation stability, which show good agreements with numerical results. We also provide a possible interpretation of the formation of the existing striped bright solitons (SBSs), and find that SBS will become the pure-quartic soliton when its periodicity and localization carry equal weight. Our results provide the theoretical support for the experimental observation of striped solitons in nonlinear fibers, and our method can also guide the discovery of striped solitons in other physical systems.

Josephson diode effect in junctions of superconductors with band asymmetric metals.

At interfaces connecting two superconductors (SCs) separated by a metallic layer, an electric current is induced when there is a disparity in the phases of the two superconductors. We elucidate this phenomenon based on the weights of the Andreev bound states associated with the states carrying current in forward and reverse directions. Typically, current phase relation (CPR) in Josephson junctions is an odd function. When time reversal and inversion symmetries are broken at the junction, CPR ceases to be an odd function and the system may exhibit Josephson diode effect. This phenomenon has been studied in spin orbit coupled systems under an external Zeeman field wherein the magnetochiral anisotropy is responsible for the Josephson diode effect. Recently introduced the band asymmetric metal (BAM) model presents a novel avenue, featuring an asymmetric band structure. We investigate DC Josephson effect in SC-BAM-SC junctions and find that band asymmetry can lead to Josephson diode effect and anomalous Josephson effect. We explain the mechanism behind these effects based on interference of plane wave modes within the Bogoliubov de-Genne formalism. We calculate diode effect coefficient for different values of the parameters.

A novel locally resonance metamaterial cylindrical shell with tower-shaped lattice for broadband vibration suppression

Vibration issues in cylindrical shells are prevalent in engineering applications and can significantly impact the operational performance of systems. To address these challenges, this paper designs a novel local resonance tower structure, and establishes an analytical model to investigate vibration characteristics of the metamaterial cylindrical shell. Based on the model, a gradient design strategy is proposed to improve vibration suppression properties over a wide frequency range. Firstly, the governing equations of the cylindrical shell are derived and the dispersion analysis is conducted to predict the bandgap boundaries using the extended plane wave expansion (EPWE) method. Then, for a finite-period metamaterial cylindrical shell with specific boundary conditions, the frequency response of the structure is obtained by finite element calculations to show the bandgap behavior. The results of these two methods are basically the same. In addition, the effects of frequency spacing, damping and array period on the vibration characteristics are considered comprehensively. The results show that a wider and more stable attenuation range can be obtained by reasonably adjusting these three parameters. Finally, the comparison between experimental and numerical calculations verify that the tower structure is effective, and that the proposed design strategy can broaden the vibration attenuation region.

Symmetry Breaking of Three Self-Organization Rules: A General Theory for the Origin of Complexity

Complex spatiotemporal patterns in nature significantly challenge reductionism-based modern science. The lack of a paradigm beyond reductionism hinders our understanding of the emergence of complexity. The diversity of countless patterns undermines any notion of universal mechanisms. Here, however, we show that breaking the symmetry of three simple and self-organization rules gives rise to nearly all patterns in nature, such as a wide variety of Turing patterns, fractals, spiral, target and plane waves, as well as chaotic patterns. The symmetry breaking is rooted in the basic physical quantities, such as positive and negative forces, space, time and bounds. Besides reproducing the hallmarks of complexity, we discover some novel phenomena, such as abrupt percolation of Turing patterns, phase transition between fractals and chaos, chaotic edge in traveling waves, etc. Our asymmetric self-organization theory established a simple and unified framework for the origin of complexity in all fields, and unveiled a deep relationship between the first principles of physics and the complex world.

Uniqueness of an inverse cavity scattering problem for the time-harmonic biharmonic wave equation

This paper addresses an inverse cavity scattering problem associated with the time-harmonic biharmonic wave equation in two dimensions. The objective is to determine the domain or shape of the cavity. The Green’s representations are demonstrated for the solution to the boundary value problem, and the one-to-one correspondence is confirmed between the Helmholtz component of biharmonic waves and the resulting far-field patterns. Two mixed reciprocity relations are deduced, linking the scattered field generated by plane waves to the far-field pattern produced by various types of point sources. Furthermore, the symmetry relations are explored for the scattered fields generated by point sources. Finally, we present two uniqueness results for the inverse problem by utilizing both far-field patterns and phaseless near-field data.

Tuning the potentials of aluminum phosphide nanotube photocatalyst for wastewater treatment through band gap engineering: a DFT study

Abstract The photocatalytic properties of semiconductor materials, which are controllable through the design of the bandgap structure, make them a promising catalyst for wastewater treatment. This work investigated the photocatalytic properties of single-walled aluminum phosphide nanotube (SWAlPNT) doped with different concentrations of boron (B) atoms for wastewater treatment. Analysis of the structural, electronic and optical properties of the SWAlPNT photocatalyst was performed using the density functional theory approach in terms of plane wave basis set and pseudopotential. The SWAlPNT was found to be stable to B doping with 3.6% and 7.1% concentrations. Cohesive energy decreases with an increase in concentration of dopant which results in efficient thermal stability. An indirect band gap value of 1.4 eV was obtained with B-doped SWAlPNT with 3.6% concentration which agreed with band gaps of other photocatalysts used for wastewater purification. Analysis using optical absorption spectra revealed that 3.6% B-doped system absorbs visible light while 7.1% doped system absorbs both visible and ultraviolet light. This study found both 3.6% and 7.1% B-doped SWAlPNT as suitable photocatalysts for wastewater treatment under solar irradiation, while the 3.6% B-doped system shows relatively better performance for wastewater treatment.

Exploring ZnFeSnO4 double spinel: A thorough investigation of mechanical, dynamical, magneto-electronic properties and lattice thermal conductivity

Double spinel materials ABB'O4 emerge as an innovative class of oxides with promising technological applications. First-principles calculations are employed to explore the fundamental properties of the double spinel ZnFeSnO4. Its elasticity and dynamic stability are investigated using the pseudo-potential plane wave (PP-PW) method, while the full-potential linearized augmented plane wave (FP-LAPW) approach is used to study its electronic and magnetic properties. The results reveal favorable thermodynamic stability, mechanical robustness, and dynamical stability for ZnFeSnO4. Analysis using GGA + U (U = 6 eV) in the FP-LAPW framework predicts half-metallic ferromagnetism, a highly desirable characteristic for spintronic applications due to its potential spin-polarized currents. However, the use of the mBJ functional results in semiconducting character with bandgaps of 1.813 eV, and 1.524 eV for spin-up and spin-down, respectively. Hence, the outcomes of the computations pertaining to the electronic characteristics are contingent upon the selection of the exchange-correlation functional. Furthermore, the calculated low lattice thermal conductivity of ZnFeSnO4 indicates its potential suitability for thermoelectric applications.

Four-wave mixing induced general localized waves for a coupled generalized nonlinear Schrödinger system

In this paper, we investigate the general localized waves on the nonvanishing background for a coupled generalized nonlinear Schrödinger system with four wave mixing (FWM) effect. Using a uniform Darboux transformation, we construct a unified analytical solution formula which can be used not only to generate some reported localized waves, but also to yield some new results. Based on whether the relative wave vector of the two seed continuous-waves is zero, we respectively obtained various localized waves on the plane wave and periodic backgrounds, including bright/dark solitons, breathers, and rogue waves. Especially, we assort these localized waves and provide detailed parameter conditions for generating them, and find that the FWM term b plays a decisive role in generating the periodic background for those localized waves. In addition, interaction dynamics of the hybrid localized waves on both the plane wave and periodic backgrounds composed of the bright/dark soliton, breather and rogue wave are analyzed. We expect that these results will shed light on the understanding of localized waves on the periodic background owing to the interference of multiple continuous-wave fields.

Second Order Frequency Selective Surface Design Multi-functional at Two Bands

Abstract This paper proposes an active frequency selective surface which furnishes three bands of higher order filtering characteristics. It controls multi-functional features, at two bands (centered at 2 GHz and 4 GHz), namely electromagnetic response and polarization of plane wave. Nine discrete filtering outputs are independently controlled through switching in bias supply to four PIN diodes embedded in two layers of AFSS unit cell. Two multifunctional bands hold stability upto 45◦ angles under all polarizations of wave. Passive band at around 5.9 GHz contributed by all the independent binary combinations exhibits stability upto 45◦ angles of TE wave only. The equivalent circuit method is used to explain and verify the designed structure. Finally, the AFSS structure is fabricated and reliability of the simulation results is verified through experiments.

Analysis of structural, electronic and optical properties of Er-doped rock salt AlN using ab-initio calculations.

This investigation includes the structural and optoelectronic characteristics of both pure and Er-doped rock salt aluminium nitride (AlN). Upon introducing Er doping into the AlN host, the calculations reveal a rise in the atomic parameter. Incorporating Er into the system leads to enhancements in the static dielectric coefficient ɛ1(0), static reflectivity R(0), as well as static refractive index n(0), at zero frequency. After doping, the peaks of imaginary dielectric tensor, extinction coefficient and absorption coefficient shift towards lower energy levels. Various exchange correlation potentials are incorporated to compare the results of electronic and optical characteristics. We employed the full potential linearized augmented plane wave (FP-LAPW) approach with WIEN2k code in conjunction with the density functional theory (DFT). To explore the optoelectronic characteristics of both pure as well as doped systems, three distinct exchange correlation potentials are utilized: the Perdew-Burke-Ernzerhof Generalized Gradient Approximation (PBE-GGA), Modified Becke Johnson Generalized Gradient Approximations (mBJ + GGA) and Hubbard potential (GGA + U).

Chemical bonding and electronic properties along Group 13 metal oxides

ContextThe present work provides a systematic theoretical analysis of the nature of the chemical bond in Al2O3, Ga2O3, and In2O3 group 13 cubic crystal structure metal oxides. The influence of the functional in the resulting band gap is assessed. The topological analysis of the electron density provides unambiguous information about the degree of ionicity along the group which is linearly correlated with the band gap values and with the cost of forming a single oxygen vacancy. Overall, this study offers a comprehensive insight into the electronic structure of metal oxides and their interrelations. This will help researchers to harness information effectively, boosting the development of novel metal oxide catalysts or innovative methodologies for their preparation.MethodsPeriodic density functional theory was used to predict the atomic structure of the materials of interest. Structure optimization was carried out using the PBE functional, using a plane wave basis set and the PAW representation of the atomic cores, using the VASP code. Next, the electronic properties were computed by carrying out single point calculations employing PBE, PBE + U functionals using VASP and also with PBE and the hybrid HSE06 functionals using the FHI-AIMS software. For the hybrid HSE06, the impact of the screening parameter, ω, and mixing parameter, α, on the calculated band gap has also been assessed.

An automated multi-layer perceptron discriminative neural network based on Bayesian optimization achieves high-precision one-source single-snapshot direction-of-arrival estimation

This paper proposes an innovative global solution which is a pioneering work applying automated machine learning algorithms to remarkable precision sparse underwater direction-of-arrival (DOA) estimation that views the subaquatic sparse-sampling DOA estimation problem as a classification prediction task. The proposed solution, termed automated multi-layer perceptron discriminative neural network (AutoMPDNN), is built upon a Bayesian optimization framework. AutoMPDNN transforms sparsely sampled time-domain signals into the complex domain, preserving essential components in a one-source single-snapshot scenario. Leveraging Bayesian optimization principles, the algorithm embeds necessary hyperparameters into the loss function, effectively defining it as a maximum likelihood problem using the upper confidence bound function and incorporating sparse signal features. We also explore the model space architecture and introduce variants of AutoMPDNN, denoted as AutoMPDNNs_ln (n = 2,3,4). Through a series of plane wave simulation experiments, it is demonstrated that AutoMPDNN achieves the highest prediction performance for one-source single-snapshot scenarios compared to classical DOA estimation algorithms that incorporate sparse representation approaches, as well as contemporary deep learning DOA methods under varying conditions.

Insights into the DFT‐computed electronic and optical properties of binary and doped: Selenide for optoelectronic applications

AbstractThis study investigates the alterations in structural, electronic, and optical characteristics of ZnSe1−x Inx (x = 0%, 12.5%, 25%) employing the framework of density functional theory (DFT), utilizing generalized gradient approximation (GGA) in conjunction with the full‐potential linearized augmented plane wave (FP‐LAPW) approach. The findings reveal that pure ZnSe exhibits a direct bandgap of 1.79 eV at the Γ point, which reduces to 0 eV upon doping with Indium, indicating a transition to metallic characteristics. This change is attributed to the predominant involvement of the d‐orbital of Zn, s‐orbital of Se, and p‐orbitals of Indium in the valence band of ZnSe1−x Inx materials. Conversely, the s‐orbital of Zn predominantly contributes to the conduction band of undoped ZnSe, whereas the d‐orbitals of Indium play a significant role in the conduction band of ZnSe1−x Inx (x = 0%, 12.5%, 25%). Moreover, the study computes other optical parameters, including reflectivity, electron energy loss spectrum, extinction coefficient, refractive index, and absorption coefficient, as functions of photon energy. A notable observation is the considerable rise in the zero‐frequency dielectric constant, ε1(0), which increases from 5.0 in pure ZnSe to 40.0 and 50.0 in Indium‐doped ZnSe, highlighting a significant alteration in electronic properties. Furthermore, optical analyses demonstrate an expansion in the absorption coefficient spectrum, which extends from photon energies of 2.0 eV in pristine ZnSe to begin at 0 eV in Indium‐doped variants, indicating a broadening of the material's capacity to absorb light across a wider spectrum of photon energies. This expansion infers improved light absorption potential, which could be particularly beneficial for the fabrication of light‐emitting modules and solar energy converters. These insights underline the considerable influence that Indium incorporation exerts on the band architecture and optical responses of ZnSe, offering critical directions for the advancement of optoelectronic devices.

Optimum Parameters in Ultrasound Coherent Plane Wave Compounding for High LPWV Estimation: Validation on Phantom and Feasibility in 10 Subjects.

The aim of this study is to determine the optimum and fine values of the number and transmission angles of tilted plane waves for coherent plane-wave compounding (CPWC)-based high local pulse wave velocity (LPWV) estimation. A Verasonics system incorporating a linear array probe L14-5/38 with 128 elements and a pulsatile pump, CompuFlow1000, were used to acquire radio frequency data of 3, 5, 7, and 9 tilted plane wave sequences with angle intervals from 0° to 12° with a coarse interval increment step of 1°, and the angle intervals from 0° to 2° with a fine interval increment step of 0.25° from a carotid vessel phantom with the LPWV of 13.42 ± 0.90 m/s. The mean value, standard deviation, and coefficients of variation (CV) of the estimated LPWVs were calculated to quantitatively assess the performance of different configurations for CPWC-based LPWV estimation. Ten healthy human subjects of two age groups were recruited to assess the in vivo feasibility of the optimum parameter values. The CPWC technique with three plane waves (PRF of 12 kHz corresponding to a frame rate of 4000 Hz) with an interval of 0.75° had LPWVs of 13.52 ± 0.08 m/s with the lowest CV of 1.84% on the phantom, and 5.49 ± 1.46 m/s with the lowest CV of 12.35% on 10 subjects. The optimum parameters determined in this study show the best repeatability of the LPWV measurements with a vessel phantom and 10 healthy subjects, which support further studies on larger datasets for potential applications.

Bottom‐bounce ray angle subspace detector in the shadow zone of deep water

AbstractPassive source detection is a challenging problem in the shadow zone, where the sound is contributed primarily by bottom‐bounce rays. The conventional beamforming detector (CBFD), which utilises the sound energy from a single direction, suffers potential significant performance degradation in the multipath‐signal scenario. The matched field detector (MFD) offers optimal performance by exploiting full‐wave field characteristics but is limited due to its reliance on prior ocean environmental knowledge. The authors demonstrate that the incident sound on a near‐surface vertical line array in the shadow zone can be approximated as a coherent sum of two plane waves that share a symmetric arrival angle about the horizontal. This leads to the signal subspace depending only on the arrival angle, which the authors call the bottom‐bounce ray angle subspace (BRAS). With generalised likelihood ratio test theory, the authors further derive the BRAS detector (BRASD). It can utilise the full signal energy under the premise of weak environmental knowledge requirements and is generally superior to the CBFD. Simulation results in a typical deep‐water channel under different source‐position and array configuration conditions demonstrate the effectiveness of the BRASD and suggest that it can even offer a performance comparable to that of the MFD under specific conditions.

Envelope waves propagation in a one-dimensional tetratomic model of acoustic metamaterial

This paper explores the propagation of modulated waves in systems modelled as one-dimensional network whose elementary cell is constituted of four interacting subsystems. We derive the dispersion relation of its small amplitude plane waves as a quartic polynomial equation in the frequency squared; and numerically show the existence of four frequency bands. These include one acoustic band and three optical bands of which the middle one features the left-handedness. We also use the reductive perturbation method to reduce the discrete equations of motion of the system to the standard nonlinear Schrödinger, thereby predicting the possibility of the propagation modulated waves in the model. This prediction is firmly established through direct numerical simulations in which the analytical solutions of the nonlinear Schrödinger equation are used as input.

Computational investigation of the structural, elastic, electronic, and thermodynamic properties of chloroperovskites GaXCl3 (X = Be, Ca, or Sr) using DFT framework

In this study, we employed the pseudopotential plane wave approach to examine the influence of the X atom (X = Be, Ca, or Sr) on the physical properties of isostructural chloroperovskites GaXCl3. The GGA-PBEsol functional was employed to simulate the exchange–correlation interactions. The computed equilibrium lattice parameters exhibit a high level of concordance with the existing theoretical findings. The cohesion energy and enthalpy of formation were computed to verify the energetic stability of the materials under consideration. The determined values of the single-crystal elastic constants (Cij) indicate that GaBeCl3 remains mechanically stable up to a hydrostatic pressure of 18 GPa. Similarly, GaCaCl3 preserves its stability up to 5 GPa, while GaSrCl3 remains mechanically stable up to 1.25 GPa. The projected Cij values were used to estimate several elastic moduli and related properties, including the shear and bulk moduli, sound wave speeds, Young’s modulus, Poisson’s ratio, and Debye temperature. The energy band structures of the studied compounds, as predicted by the HSE06 functional, demonstrate their wide bandgap semiconductor nature. Specifically, GaBeCl3 demonstrates an indirect bandgap of 3.828 eV, while GaCaCl3 reveals an indirect bandgap of 4.612 eV and GaSrCl3 has an indirect bandgap of 4.405 eV. The quasiharmonic Debye approach was employed to examine various thermal parameters, including the temperature dependence of the unit cell volume, bulk modulus, expansion coefficient, Debye temperature, isochoric and isobar heat capacities, Grüneisen parameter, and entropy function. It has been shown that GaBeCl3 demonstrates a lower thermal expansion coefficient and a higher Debye temperature in comparison to GaCaCl3 and GaSrCl3.

Probing the interference between non-linear, axionic and space-time-anisotropy effects in the QED vacuum

In this paper, we pursue the investigation of a generic non-linear extension of axionic electrodynamics in a Carroll-Field-Jackiw (CFJ) scenario that implements Lorentz-symmetry violation (LSV). The model we inspect consists of an arbitrary non-linear electrodynamic action coupled to the axion field in presence of an anisotropy four-vector that realizes the breaking of Lorentz symmetry under the particle point of view. For the sake of our considerations, the non-linear electromagnetic field is expanded around a constant and uniform magnetic background up to second order in the propagating photon field. The focus of our attention is the study of the material properties of the vacuum in the particular case of a space-like CFJ 4-vector. The dispersion relations associated to the plane wave solutions are explicitly worked out in two situations: the magnetic background perpendicular and parallel to the wave direction. We extend these results to consider the analysis of the birefringence phenomenon in presence of non-linearity, the axion and the LSV manifested through the spatial anisotropy. Three specific proposals of non-linear electrodynamics are contemplated: Euler-Heisenberg (EH), Born-Infeld (BI) and the Modified Maxwell electrodynamics (ModMax). Throughout the paper, we shall justify why we follow the unusual path of connecting, in a single Lagrangian density, three pieces of physics beyond the Standard Model, namely, non-linearity, axions and LSV. We anticipate that we shall not be claiming that the simultaneous introduction of these three topics beyond the Standard Model will bring new insights or clues for the efforts to detect axions or to constrain parameters associate to both non-linear electrodynamics and LSV physics. Our true goal is to actually inspect and describe how axionic, non-linear and LSV effects interfere with one another whenever physical entities like group velocity, refraction indices, birefringence and effective masses of physical excitations are computed in presence of an external constant and homogeneous magnetic field.

The influence of the rectangular dielectric grating filling factor on the grating-based sensor’s sensitive element characteristics

The influence of grating filling factor on the spectral sensitivity of sensors, characterized by full width at half maximum (FWHM) and a figure of merit (FOM), operating on the principle of waveguide mode resonance in dielectric gratings formed on a substrate, has been investigated. Resonant wavelengths were determined for varying grating thicknesses and filling factors. Sensitivity values were obtained for normally and obliquely incident plane waves, as well as for Gaussian beams. Additionally, a scaling rule is presented, allowing determination of sensor parameters using a calculator based on identical grating parameters and corresponding resonant wavelengths. This method holds when linear dimensions of the grating and tested wavelengths are scaled proportionally.