Real Part Research Articles

Electronic, optical and elastic properties of AgCuS

DFT calculation is used to investigate the structural, electronic, optical, and elastic properties of AgCuSe and AgCuS. The calculations are performed using the ATK with generalized gradient approximation (GGA) in combination with Hubbard U correction parameters for both structures. The calculated band gap energies and partial density of state reveal that AgCuS has semiconductor properties unlike this AgCuSe has a metallic nature. The optical properties, real and imaginary parts of dielectric function are obtained for the energy range of 0 to 5 eV. Elastic stiffness coefficients (Cij), bulk modulus (B), shear modulus (G), and Young modulus (E) have been calculated.

Dielectric properties of Pouteria sapota compounds in terahertz frequency range

The analysis and a mathematical approximation of the dielectric properties of Pouteria sapota (Mamey) pulp compounds in the Terahertz (THz) range are presented. Since THz electromagnetic waves show a high sensitivity to detect water content when interacting with organic materials, this technique was used to determine the effective dielectric function (EDF) of a wet and a dry sample from the THz spectrum data. By fitting the EDF to the Landau-Lifshitz-Looyenga (LLL) dielectric mixture equation, the theoretical dielectric functions of each pulp compounds were approximated. The approach proposed here not only considered dry matter and water content in the Pouteria sapota pulp, as has been reported in the literature for organic samples, but also included the contribution of the volatile components (VC) that allowed a better adjustment to the experimental results. The water and VC content increase the value of the real and imaginary part of the calculated EDF of the wet sample. The use of the non-destructive THz spectroscopy technique allows determining the dielectric properties of fruits that have been dehydrated. Therefore, the methodology proposed here can be used as a method of in situ and ex situ quality control in the agri-food industry.

On the optical characteristics of Cd-Doped gadolinium oxide: A DFT based theoretical study

This research investigated the optical characteristics of Cd-doped gadolinium oxide (Gd2O3) by employing density functional theory (DFT) along with the CASTEP simulation package. After the creation of a Gd2O3 supercell at an initial [2x1x1] scale, the study evaluated the altered properties of Gd2O3 at the supercell level to assess the impact of Cd-doping on the optical features of doped one. Optical properties which were explored included the examining the dielectric function, refractive index, conductivity, and loss function. The dielectric function exhibited distinct peaks at certain photon energies that corresponded to various electronic transitions between energy levels of the material. The prominent absorption peaks observed in the energy range of 0.174-1.55 eV in the imaginary part of the dielectric function. This was attributed to energy transitions occurring between specific orbitals for pure and Cd-doped gadolinium oxide. The refractive index exhibited stability at lower energy levels, while the conductivity curves displayed excitonic behavior in response to Cd-doping at the supercellular level. Furthermore, the Cd-doping resulted in an increase in absorption, as indicated by the simulated changes in the loss function

Investigation of the Effect of Alloying Element Equilibrium Relationship on the Electromagnetic Microwave Absorption Properties of Nano FeNi Magnetic Particles

AbstractIn order to effectively comprehend the impact of alloying element equilibrium relationship of binary nano‐magnetic particles on their electromagnetic wave absorption performance, four sets of binary nano FeNi magnetic particles with Fe:Ni alloy ratios of 2:8, 4:6, 6:4, and 8:2 were prepared with liquid‐phase reduction and the microstructure, static magnetic properties, and electromagnetic wave absorption performance of the particles were studied. The results show that the nano FeNi magnetic particles exhibit a spherical geometric structure, with a decrease in crystallinity as the Fe:Ni alloy ratio increases. The remanence and coercivity initially increase and then decrease with the increased Fe:Ni alloy ratio, with a 270 % decrease in saturation magnetization intensity as the alloy ratio changes from 2:8 to 8:2. With the increase in the Fe:Ni alloy ratio, the real and imaginary parts of the complex permittivity exhibit a decreasing trend, while the real part of the magnetic permeability decreases with increasing frequency. Aside from the 8:2 Fe:Ni alloy ratio, significant polarization relaxation losses were observed in the prepared magnetic particles, with eddy current losses was not the main mechanism of magnetic losses. The attenuation constant shows a peak at high frequencies, and the impedance matching performance increases with the increase in the Fe:Ni alloy ratio. When the Fe:Ni alloy ratio changes from 2:8 to 8:2, the minimum reflection loss decreased by 3340 %, and at a thickness of 2.1 mm and a frequency of 12 GHz, the FeNi alloy particles with a ratio of 2:8 exhibited a minimum reflection loss of −17.2 dB with an effective absorption bandwidth of 1.92 GHz.

A stochastic Schrödinger equation and matrix product state approach to carrier transport in organic semiconductors with nonlocal electron-phonon interaction.

Evaluation of the charge transport property of organic semiconductors requires exact quantum dynamics simulation of large systems. We present a numerically nearly exact approach to investigate carrier transport dynamics in organic semiconductors by extending the non-Markovian stochastic Schrödinger equation with complex frequency modes to a forward-backward scheme and by solving it using the matrix product state (MPS) approach. By utilizing the forward-backward formalism for noise generation, the bath correlation function can be effectively treated as a temperature-independent imaginary part, enabling a more accurate decomposition with fewer complex frequency modes. Using this approach, we study the carrier transport and mobility in the one-dimensional Peierls model, where the nonlocal electron-phonon interaction is taken into account. The reliability of this approach was validated by comparing carrier diffusion motion with those obtained from the hierarchical equations of motion method across various parameter regimes of the phonon bath. The efficiency was demonstrated by the modest virtual bond dimensions of MPS and the low scaling of the computational time with the system size.

Tunable Thermal Conductivity of Surface Phonon Polarizations in SiC Thin Film

Abstract As an additional heat carrier besides phonons and electrons, the surface phonon polarization (SPhPs) possesses a large potential to increase the thermal conductivity. In this work, the influences of SPhP frequency, film thickness and film permittivity on the SPhP-contributed thermal conductivity of SiC thin films were probed. Results show that: there are two frequency zones which could lead to a much high thermal conductivity, i. e. the frequency which approaching zero and the frequency in singularity zone. The thermal conductivity decreases with the increase of the film thickness, following a power-function relationship, and a thin film with a thickness of 10-nm could have a thermal conductivity higher than 〖1×10〗^4 W·m-1·K-1. However, the experimental observation of this high thermal conductivity is still difficult because of the size effect of the film length. The thermal conductivity will increase with the decrease of the imaginary part of the film permittivity and/or increase of the real part of the film permittivity, and there is approximately a reciprocal dependence of thermal conductivity on the imaginary part of the film permittivity. The thermal conductivity could be tuned by several times with tailoring its permittivity through adding fillers in it or adding dopant in it. This work provides some potential methods to tune the SPhP thermal conductivity in SiC thin film, which could help its application in microscale heat dissipation.

Cooperative Decay of an Ensemble of Atoms in a One-Dimensional Chain with a Single Excitation

We propose a new expression of the cooperative decay rate of a one-dimensional chain of N two-level atoms in the single-excitation configuration. From it, the interference nature of superradiance and subradiance arises naturally, without the need to solve the eigenvalue problem of the atom–atom interaction Green function. The cooperative decay rate can be interpreted as the imaginary part of the expectation value of the effective non-Hermitian Hamiltonian of the system, evaluated over a generalized Dicke state of N atoms in the single-excitation manifold. Whereas the subradiant decay rate is zero for an infinite chain, it decreases as 1/N for a finite chain. A simple approximated expression for the cooperative decay rate is obtained as a function of the lattice constant d and the atomic number N. The results are obtained first for the scalar model and then extended to the vectorial light model, assuming all the dipoles aligned.

Iron nanoparticles supported on graphene nanosheets by pulsed laser ablation method in deionized water

In this study, pulsed laser ablation process (PLA) in deionized water solution was used to prepare graphene oxide (GO) nanosheets, wustite (FeO) nanoparticles and GO based FeO nanoparticles. The effect of composition ratio of materials on their optical properties was studied. The structural properties of the materials were characterized using transmission electron microscopy (TEM) and x-ray diffraction (XRD) techniques. According to the TEM results, FeO nanoparticles were well deposited on GO nanosheets. The XRD results demonstrated the formation of Fe and wustite (FeO) phase of iron oxide nanoparticles. In the XRD analysis of graphene sample, graphene oxide (GO) and reduced graphene oxide (rGO) nanosheets were identified. The absorption measurement of the samples in colloidal state was performed using a UV–vis single beam spectrophotometer in the wavelength range of 250 to 800 nm. The higher and the lower absorbance belonged to 1.4 ml GO − 0.6 ml FeO composition and GO nanosheets, respectively. The linear optical properties of the samples, including the real and imaginary parts of the dielectric function, refractive index, extinction coefficient and absorption coefficient were calculated using the spectroscopic ellipsometry (SE) method. Leng oscillator was used as the optical model in SE method. Also, the energy band gap of the samples was calculated using Tauc relation, in which the lower and the higher energy band gaps were obtained for GO nanosheets (3.40 eV) and FeO nanoparticles (4.65 eV), respectively. Furthermore, the nonlinear optical properties of GO based FeO nanoparticles were investigated by Z-scan measurement. The nonlinear refractive index and nonlinear absorption coefficient were obtained in the order of 10−8 cm2 W−1 and 10–4 cm W−1, respectively.

Analysis of structural, dielectric, magnetic and impedance spectroscopy of ZnO/CuFe2O4 nanocomposites

The nanocomposites of ZnO/CuFe 2 O 4; abbreviated as (ZnO) x /(COF) 1-x (x; 10 ∼ 50 wt%) were prepared by powder mixing method. The x-ray diffraction pattern revealed the formation of nanocomposites (NCs) with inverse spinel structure of COF and hexagonal wurtzite structure of ZnO. The scanning electron microscope analysis depicts the nano-plates like morphology, non-homogenous mixing and agglomeration of particles. The dielectric properties and impedance spectroscopy of NCPs were measured by LCR meter in the frequency range of 1 kHz to 2 MHz. There is decrease in the real and imaginary parts of dielectric constant (ε′ and ε″) were observed with frequency, which is explained by Maxwell–Wagner’s polarization mechanism. The real and imaginary parts of impedance (Z′ and Z″) also show decreasing trend with frequency owing to increase in hopping of charge carriers that result in enhancement of a.c. conductivity (σ a.c ). The impedance spectroscopy shows a semicircular arc at higher frequency which is attributed to the conduction from grains. Finally, the vibrating sample magnetometer result showed the change in the magnetic nature of NCPs; as saturation magnetization (M s ) and coercivity (H c ) decreases substantially with incorporation of non-magnetic ZnO weight fractions.

Quasinormal mode of Schwarzschild black hole with geometric correction

We investigated the quasinormal modes (QNMs) for scalar, Dirac and electromagnetic fields of a Schwarzschild black hole with geometric corrections. In addition to the inherent modes of the Schwarzschild black hole, we discovered the existence of purely imaginary modes induced by the geometric corrections, which dominated the behavior of the perturbation when geometric corrections were pretty small. Notably, we found that these purely imaginary modes are prominent, and their imaginary parts are proportional to the correction parameter ϵ. We also explored the large-l limit using the WKB approximation for scalar field. This opens up the possibility of observed geometric corrections in the future.

Double-image encryption and authentication scheme based on compressed sensing and double random phase encoding

To enhance the security of image information, a double-image encryption and authentication scheme combining compressive sensing (CS) and double random phase encoding (DRPE) is proposed. First, two plaintext images are taken as real and imaginary parts to form a complex-valued image, which is then encoded using DRPE. Next, extract the phase of the encrypted complex-valued image and encode it into authentication information. Simultaneously, the complex-valued image is sampled using the measurement matrix, which is optimized by Schmidt orthogonalization, and then quantized to form a compressed image. Subsequently, the authentication information is embedded into the compressed image, and by applying the permutation and diffusion algorithm to it, the ciphertext image is obtained. At the receiving end, the ciphertext is decrypted using inverse permutation and inverse diffusion algorithms, and the authentication information is decoded to acquire the authentication image. Finally, synchronous authentication of the two reconstructed images is achieved using a nonlinear cross-correlation method. Additionally, the keys in the proposed scheme are generated using high-dimensional chaotic systems, effectively reducing the required storage space and transmission bandwidth. Simulation results demonstrate that the proposed scheme has high image reconstruction performance at different compression ratios and possesses outstanding security and authentication capabilities.

Self-induced optical pulling in complex photonic band structure

The photonic band gap effect has been proposed to achieve a gradient-induced long-range optical pulling force, but how the properties of the photonic band gap affect the optical pulling force remains to be revealed. In this work, based on the theory of complex photonic band and Einstein–Laub formulation of force density, a concise formula is developed to investigate such unusual optical pulling force. It indicates that the optical pulling force is mainly decided by the imaginary part of the wave vector of evanescent mode in the photonic band gap and the refractive index of the object. A larger imaginary part of the wave vector and a higher refractive index of the object typically result in a larger optical pulling force, which is verified by the numerical simulation. In addition, a critical length is defined to predict the occurrence of optical pulling force. Our work gives an insight into such an optical pulling force based on the complex photonic band and offers guidance for achieving a larger optical pulling force, which is very beneficial to optical sorting and optical conveying.

Probability distributions of atomic scattering lengths

The probability distributions of the real and imaginary parts of atomic scattering lengths a are derived, in a two-channel model that allows for inelastic scattering to occur. While the real part of a remains Cauchy-distributed, as predicted for single channel scattering in the classic work of Gribakin and Flambaum, the imaginary part of a is seen to be strongly peaked near zero. Two-body inelastic scattering rates may therefore be smaller in general than a naive estimate would suggest.

Quantum Interference at the Recombination Junction of Perovskite-Si Tandem Solar Cells Improves Efficiency.

We show quantum interference effects can enhance coherent electron transmission in perovskite tandem solar cells using ultrathin indium tin oxide (ITO) layers. We develop a model for the behavior of the power conversion efficiency based on a finite difference time domain solution of the time-dependent Schrödinger equation. The modeled potential includes an imaginary part to simulate probability loss by incoherent scattering. The results agree with observations of efficiency as a function of ITO thickness, suggesting an optimized design.

Dielectric study of low-cost porous anodic aluminum oxide (AAO) template and AAO template-copper nanowires (Cu/AAO) nanocomposites as a capacitor for energy storage

In this work, we explore the effect of increasing electrodeposition time on the dielectric properties of Cu/AAO nanocomposites. Cu nanowires are electrodeposited within the AAO template pores fabricated using a two-step anodization process. The morphology, composition, and crystalline structure are characterized using scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), and X-ray diffraction (XRD). The dielectric properties, including the real part and the imaginary part of the effective complex relative permittivity and the effective AC conductivity of the AAO template and Cu/AAO nanocomposites, are subsequently analyzed. The results demonstrate a clear improvement in effective permittivity and effective AC conductivity of Cu/AAO nanocomposites with increasing electrodeposition time, indicating the potential for tailoring the dielectric properties of AAO templates through the incorporation of metal nanowires for advanced capacitor applications.

Comparison of Approaches for Assessing Linearity of Impedance Measurements

There are two experimental methods available to assess the linearity of electrochemical impedance measurements. Observation of current as a function of potential, known as Lissajous plots, provides an instantaneous visual representation of the data.1 Deviation from an elliptical shape suggests a perturbation amplitude that is too large, resulting in nonlinear impedance data. A second approach is to measure, along with the fundamental, the higher harmonics of the measurement signal. Under potentiostatic control, the harmonics of current that exceed the noise level suggest nonlinear behavior. These harmonics may be expressed in terms of a frequency-dependent total harmonic distortion, THD, written as the ratio between the sum of the root mean square of the harmonic magnitude and fundamental frequency magnitude for electrochemical applications.The impedance was measured for a model system consisting of a Pt disk immersed in an electrolyte containing 0.01 M potassium ferricyanide, 0.01 M potassium ferrocyanide, and 1 M KCl. Measurements were performed using a Gamry Reference 3000 with THD measurement enabled and disabled. Low-frequency (10 mHz) Lissajous plots were recorded to facilitate comparison of the two methods for assessing linearity. The impedance measurements with THD enabled or disabled were in good agreement, including the frequency-dependent stochastic error structure, the shapes of Lissajous curves, and the values of the impedance. Both the low-frequency THD and the low-frequency Lissajous plots gave similar sensitivity to nonlinear behavior. Perturbation amplitudes of 1, 5, and 10 mV rms yielded elliptical Lissajous plots with THD values on the order of the background noise. Interestingly, the THD for the 10 mV perturbation was slightly above the background noise with a value of 0.01 (or 1 % of the fundamental). Perturbation amplitudes of 20, 60, and 100 mV rms yielded both non-elliptical Lissajous plots and low-frequency THD values much larger than the background noise.The regression of the measurement model 2 to the imaginary part of the impedance was applied to assess the consistency of the measured data to the Kramers-Kronig relations.3 Data measured at amplitudes of 1, 5, 10, and 20 mV rms were found to be consistent with the Kramers-Kronig relations, and data collected with amplitudes of 60 or 100 mV rms were found to be inconsistent with the Kramers-Kronig relations. As the measurement with a 20 mV rms amplitude was found to be nonlinear by observation of non-elliptical Lissajous plots and a THD of 4.2% at a frequency of 10 mHz, the post-measurement analysis of consistency with the Kramers-Kronig relations was found to be less sensitive than experimental observation of Lissajous plots and calculation of THD. Comparison of Lissajous plots to THD values suggests that experiments with THD less than 1% of the fundamental may be considered to be linear.

Modeling of servo dynamic stiffness for multiple-periodic repetitive learning control system

Servo dynamic stiffness is a pivotal index in characterizing the rejecting performance for the exogenous periodic disturbances of the repetitive learning control system. In this paper, the mathematical modeling of the servo dynamic stiffness for the well-designed repetitive learning control system with multiple-periodic signals is studied by the frequency analysis method. To analysis the complex form of the servo dynamic stiffness, the magnitudes of the direct (real part) and quadrature (imaginary part) servo dynamic stiffness at harmonics of the disturbance are discussed based on the parameters of the repetitive learning controller. An illustrated example of the two linear servomotors with the mechanical coupling is given in this study. Computer simulation are presented to illustrate the effect of the proposed measurement method of the servo dynamic stiffness for the multiple-periodic repetitive learning control system. The proposed servo dynamic stiffness modeling can be used to accurate design the parameters of the repetitive learning control system, such that the batter control performance of the repetitive learning control system at most of the harmonics of the multi-periodic input signal can be achieved.

Complex conductivity as a tool to investigate the electrical behavior between graphene oxide and reduced graphene in supercapacitors: Correlation between the electrical properties

The storage mechanisms of solid-solid supercapacitors based on graphene oxide (rGO/GO/rGO) were explored by Zhang Q et al. (Zhang et al., 2014) [1], using Density Functional Theory (DFT) and Impedance Spectroscopy (EIS) to elucidate the unusual capacitive behavior of GO sandwich films. Their study revealed alternating charged layers without diffusion zones. Analysis of complex impedance (Z*) data, ranging from 10−3 to 3.106 Hz, was conducted using an equivalent circuit, though this was limited to Nyquist plot data.To further investigate charge storage mechanisms, the current study delved deeper into complex impedance (Z*) and conductivity (σ*). A theoretical approach identified relaxation processes in the imaginary parts of (Z″) and (σ'') across frequencies. Extrapolation up to 3.10^9 Hz and deconvolution confirmed three distinct relaxation processes in Z* and σ*, similar to Cole-Cole relaxation, which describes Maxwell-Wagner-Sillars (MWS) relaxation. This reflects local electrical interactions between active sites on molecular chains and counterions, creating induced dipolar moments or diffusion processes.The identified relaxations at low, medium, and high frequencies correspond well with DFT results, attributed to specific regions: graphene oxide (GO), the (rGO/GO) interface, and reduced graphene (rGO). Key parameters extracted from each relaxation, such as relaxation time, ionic strength, and conductivity values at different frequencies, showed good correlation. This approach, based on deep conductivity (σ*) analysis, effectively highlighted the charge conduction and storage mechanisms in rGO/GO/rGO supercapacitor films.

Push-Pull Carbazole-Based Dyes: Synthesis, Strong Ultrafast Nonlinear Optical Response, and Effective Photoinitiation for Multiphoton Lithography.

The present work reports on the ultrafast nonlinear optical (NLO) properties of a series of D-π-Α and D-A push-pull carbazole-based dyes and establishes a correlation between these properties and their efficiency for potential photonic and optoelectronic applications such as multiphoton lithography (MPL). The ultrafast NLO properties of the studied dyes are determined by two distinct experimental techniques, Z-scan and pump-probe optical Kerr effect (OKE), employing 246 fs laser pulses at 515 nm. The results indicate that chemical functionalization of the carbazole moiety with various strong electron-donating and/or electron-withdrawing groups, such as benzene, styrene, 4-bromostyrene, nitrobenzene, trimethyl isocyanurate, methyl, and indane-1,3-dione, can result in a controlled and significant enhancement of the NLO absorptive and refractive responses. In the context of potential applications, the efficiency of carbazole-based organic materials as photoinitiators (PIs) for MPL applications is demonstrated. The fabricated woodpile microstructure using chemically functionalized carbazole as a PI demonstrates improvements in both feature size and MPL efficiency compared to that using unfunctionalized carbazole as a PI. This is attributed to the efficient charge transfer resulting from chemical functionalization, which leads to a substantial increase (approximately 1 order of magnitude) in the values of the imaginary part of the second-order hyperpolarizability (Imγ) and the two-photon absorption cross section (σ). The achieved feature size of 280 nm is comparable to that obtained with other widely used PIs in MPL applications. Additionally, owing to the strong NLO properties of the studied functionalized carbazole, they could also be promising candidates for further applications in photonics and optoelectronics.

Theoretical investigation of optoelectronic properties in PbS/CdS core/shell spherical quantum dots under the effect of the electric field intensity, hydrogenic impurity and geometric parameters

In this paper, we theoretically investigated the combined effects of the external electric field (EF) strength and the geometric parameters on the linear, nonlinear and total dielectric functions as well as the effective dielectric function (DF) coefficients of PbS/CdS spherical core/shell quantum dots (CSQD) in the presence of the hydrogenic impurity located at the center. The subband energy eigenvalues and their corresponding wave functions are obtained by solving the time-independent Schrödinger equation and using the variational method (VM) in the framework of the effective mass approximation (EMA). The linear, nonlinear and total DF as well as the effective DF were discussed and evaluated under the influence of EF intensity, geometric parameters, the change of the number of quantum dots (QDs) per unit volume and optical intensity I based on the compact density matrix (CDM) approach. The obtained results show that the height peaks of the linear, nonlinear and Total DF as well as the effective DF coefficients increase and their resonant peak moves towards lower energies as the EF and geometric factors increase in both cases with and without considering the hydrogenic impurity effect. Furthermore, our findings show that the impact of optical intensity and the number of QDs per unit volume does not change the resonance peaks of imaginary parts of DF and effective DF but decreases their magnitudes. As a result, we believe that numerical results will present important developments and provide great contributions in designing new optoelectronic devices related to CSQD hetero-nanostructure.