Dielectric Tensor Research Articles

Effective electromagnetic wave properties of disordered stealthy hyperuniform layered media beyond the quasistatic regime

Disordered stealthy hyperuniform dielectric composites exhibit novel electromagnetic wave transport properties in two and three dimensions. Here, we carry out the first study of the electromagnetic properties of one-dimensional 1D) disordered stealthy hyperuniform layered media. From an exact nonlocal theory, we derive an approximation formula for the effective dynamic dielectric constant tensor ε e (k q ,ω) of general 1D media that is valid well beyond the quasistatic regime and apply it to 1D stealthy hyperuniform systems. We consider incident waves of transverse polarization, frequency ω, and wavenumber k q . Our formula for ε e (k q ,ω), which is given in terms of the spectral density, leads to a closed-form relation for the transmittance T. Our theoretical predictions are in excellent agreement with finite-difference time-domain (FDTD) simulations. Stealthy hyperuniform layered media have perfect transparency intervals up to a finite wavenumber, implying no Anderson localization, but non-stealthy hyperuniform media are not perfectly transparent. Our predictive theory provides a new path for the inverse design of the wave characteristics of disordered layered media, which are readily fabricated, by engineering their spectral densities.

Investigation of electronic and optical properties of alkali atom doped CuInSe2 using density functional theory

In this study, the effect of alkali metal (Rb, Cs) doping on the electronic structure of CuInSe2 chalcopyrite have been investigated. The electronic structure of pure and doped chalcopyrites has been interpreted in terms of energy bands and density of states. The doping of Rb and Cs increases the band gap of CuInSe2 from 0.81 eV and attains its maximum value of 1.16 eV with 25% doping of Rb at Cu site. The forbidden gap of doped compounds is found to be suitable for optoelectronic and photovoltaic applications. Therefore, the investigations of various optical properties such as, dielectric tensors, absorption, reflection and refraction spectra, for Cu1−xAxInSe2 (A = Rb, Cs; x = 0, 0.125 and 0.25) compounds are performed to understand the optical performance of all these compounds. The imaginary part of dielectric tensor of pure and doped CuInSe2 are explained with the help of the various inter-band transitions. The refractive index for CuInSe2 is found to be 2.60 which reduces to 2.40 and 2.53 for Cu0.75Rb0.25InSe2 and Cu0.75Cs0.25InSe2 compounds, respectively. All investigations for Cu1−xAxInSe2 (A = Rb, Cs; x = 0, 0.125 and 0.25) compounds have been carried out using density functional theory. Present study shows that doping of Rb and Cs enhances the optoelectronic response of CuInSe2 for its utilization in photovoltaic and optoelectronic applications.

Thermal phonon modulation of III-nitride semiconductors under strong electric fields

Self-heating effects in high-power III-nitride semiconductor electronics and optoelectronic devices limit their practical applications, while phonon modulation can be used to alleviate heat dissipation problems. In this paper, we report our efforts to suppress macroscopic polarization fields when applying strong electric fields, which affect the phonon frequency. We investigate alterations in phonon frequencies for two materials, 2H-GaN and 2H-AlN, for various electric field strengths ranging from 0.00 V/Å to 0.07 V/Å and 0.00 V/Å to 0.18 V/Å, respectively. We also analyze the changes in the macroscopic dielectric tensor and the BORN effective charge tensor. The calculation results reveal that the vibration frequencies of the longitudinal-optical (LO) A1(LO) mode are decreased by approximately 2 cm−1 for 2H-GaN and 3 cm−1 for 2H-AlN. Our simulation results are consistent with the Raman spectroscopy results of Si-doped 2H-GaN specimens illuminated with 325 nm excitation for a variety of carrier concentrations. This study contributes to a better understanding of the factors influencing phonon behavior, thus offering new methods for optimizing the thermal regulation and dissipation patterns of III-nitride semiconductor materials and devices.

Magnetically enhanced THz generation by self-focusing laser in VA-MCNTs

Magnetically enhanced terahertz (THz) radiations are generated on account of the self-focusing of the laser beam in the bunch of anharmonic Vertically Aligned Metallic Carbon Nanotubes (VA-MCNTs) embedded on the non-conductive sapphire or silicon on sapphire (SOS) substrate. The high-power Gaussian laser beam gets self-focused in the bunch of VA-MCNTs as the initial power of the propagating beam is greater than its critical power. The resulting laser beam interacts with the bunch of VA-MCNTs and as a result, the electrons of MCNTs experience a nonlinear ponderomotive force to show oscillatory behavior with resonant nonlinear transverse velocity. It produces the nonlinear current which drives the THz radiation generation. Enhanced THz generation is noticed in the regions where self-focusing becomes stronger. We have observed that an applied magnetic field, anharmonic behavior of MCNTs, self-focusing, and dimensions of MCNTs also pave the way for the enhancement of the normalized THz amplitude. The anisotropic behavior of the dielectric tensor in the presence of an externally applied static magnetic field also helps to enhance the THz amplitude. The results shown (by the beautiful graphs and well supported by the numerical simulation) in the present scheme indicate that the bunch of VA-MCNTs can play a diverse and significant role in the important applications of THz medical photonics by varying the values of various parameters. The emitted THz radiation has the ability to detect changes in the DNA of human beings because the frequency of the emitted radiation is observed to lie in the frequency region of molecular spectra of DNA and the corresponding energy of THz radiation is not high enough to damage the DNA by ionization.

A first principle investigations for electronic, optical and mechanical response of novel Ba2AgIO6 perovskite

The double perovskite compound, Ba2AgIO6 has been studied through density functional theory to explore its mechanical, electronic, and optical properties. To examine the mechanical stability of the compound, elastic constants, Young’s modulus, bulk modulus and shear modulus have been computed. The computed electronic properties show the direct band gap semiconducting nature of the studied perovskite compound. The optical properties of Ba2AgIO6 are interpreted with the help of energy dependent dielectric tensor, absorption, reflection, refraction, and energy loss spectra. From the present study it is found that Ba2AgIO6 is suitable for the various photovoltaic and optoelectronic applications.

Anisotropic excitonic photocurrent in β−Ga2O3

Polarization-dependent photocurrent spectra are measured on a (001) $\ensuremath{\beta}\text{\ensuremath{-}}{\mathrm{Ga}}_{2}{\mathrm{O}}_{3}$ Schottky photodetector, where the linear polarization of light is rotated within the ab plane. Three spectral peaks at 4.92, 5.15, and 5.44 eV are observed that vary in intensity with the optical polarization direction. The peak transition energies are consistent with excitons previously reported in $\ensuremath{\beta}\text{\ensuremath{-}}{\mathrm{Ga}}_{2}{\mathrm{O}}_{3}$ due to interband transitions modified by the valence-band $p$-orbital anisotropy and the electron-hole Coulombic attraction. The measured polarization dependence of the photocurrent matches our predictions based on electromagnetic simulations of anisotropic absorption using the complex dielectric function tensor extracted from previous ellipsometry studies. These results illustrate the dominance of excitonic absorption and photocurrent in $\ensuremath{\beta}\text{\ensuremath{-}}{\mathrm{Ga}}_{2}{\mathrm{O}}_{3}$ both below and above the band gap, demonstrate a combined theoretical/experimental understanding of anisotropic photocarrier generation, and validate previous atomistic band-structure calculations in this low-symmetry ultrawide-band-gap semiconductor.

A point-to-point convolutional neural network for reconstructing electromagnetic parameters of multiple cavities scattering with inhomogeneous anisotropic media

We propose a point-to-point convolutional neural network (CNN) model to reconstruct the electromagnetic parameters of multiple cavities filled with inhomogeneous anisotropic media. The input of the model is a grid matrix of electromagnetic field magnitude solved by Petrov–Galerkin finite element interface method, and the output is a distribution matrix of the electromagnetic parameters of the cavities. The uniform non-body-fitted mesh is set in the computational domain, which does not need to be updated repeatedly at the complex interfaces of different media. Compared with the standard finite element, this mesh reduction method effectively saves the cost of mesh generation. Level set functions are applied to capture these arbitrarily shaped interfaces. The matrix coefficients caused by the dielectric constant and permeability tensors of anisotropic media can also be handled with this method. The point-to-point CNN model effectively reconstructs the value and the distribution of electromagnetic parameters in the cavities, also predicting the shape and the position of the interfaces. Three optimized schemes are then proposed to improve reconstruction accuracy. Numerical results show that the size of the convolution kernel and the number of fully connected layers are the crucial parameters in determining interfaces and reducing the number of artefacts.

Reflection of stepwise twisted stratified anisotropic optical media

Stratified optical films have fascinating optical properties and many important applications. Here we report a theoretical study of stepwise twisted stratified anisotropic optical media. We used Fourier transform to analyze the helical component of the dielectric tensor of the media. We then used the Berreman 4 × 4 method to calculate the reflection spectrum of the media. We discovered that right-handed and left-handed helices could coexist in stepwise twisted layers, which producing a simultaneous reflection of right-handed and left-handed circularly polarized light. This feature can be used to produce films with superior reflection properties, such as high reflectance, broad bandwidth reflection and short wavelength reflection.

Boron-induced magneto-optical Kerr spectra and dielectric tensors in ferrimagnetic (Mn4N)B antiperovskite thin films

Boron-induced electronic states were investigated via a combination of polar magneto-optical Kerr effect (p-MOKE) spectroscopy and spectroscopic ellipsometry for one of the antiperovskite nitrides, Mn4N. The boron content in the Mn4N film varied from 0 to 4.3 at.%, for which the crystal structure was maintained. The amplitude of p-MOKE spectra and the diagonal and off-diagonal dielectric tensors decreased with increasing boron content, which is in agreement with the magnetic properties such as magnetic anisotropy and saturation magnetization. These results were related to the lattice expansion and displacement of the charge density in the Mn4N by boron doping. However, the peak energy of the Lorentz oscillator in the diagonal elements of dielectric tensors suggests that a dominant inter-band transition was independent of boron content.

Thickness-dependent in-plane shift of photonic spin Hall effect in an anisotropic medium.

As the in-plane spin splitting (IPSS) has a broad application for the precision measurement and sensing, it is extremely important to explore its enhancement mechanism via the photonic spin Hall effect (PSHE). However, for a multilayer structure, the thickness in most of previous works is generally set as a fixed value, lacking the deeply exploration of the influence of thickness on the IPSS. By contrast, here we demonstrate the comprehensive understanding of thickness-dependent IPSS in a three layered anisotropic structure. As thickness increases, near the Brewster angle, the enhanced in-plane shift exhibits a thickness-dependently periodical modulation, besides with much wider incident angle than that in an isotropic medium. While near the critical angle, it becomes thickness-dependently periodical or linear modulation under different dielectric tensors of the anisotropic medium, no longer keeps almost constant in an isotropic medium. In addition, as exploring the asymmetric in-plane shift with arbitrary linear polarization incidence, the anisotropic medium could bring more obvious and wider range of thickness-dependently periodical asymmetric splitting. Our results deepen the understanding of enhanced IPSS, which is expected to promise a pathway in an anisotropic medium for the spin control and integrated device based on PSHE.

Mid-infrared optical properties of non-magnetic-metal/CoFeB/MgO heterostructures

We report on the optical characterization of non-magnetic metal (NM)/ferromagnetic (Co20Fe60B20)/MgO heterostructures and interfaces by using mid infrared (MIR) spectroscopic ellipsometry at room temperature. We extracted for the MIR range the dielectric function (DF) of Co20Fe60B20, that is lacking in literature, from a multisample analysis. From the optical modeling of the heterostructures we detected and determined the dielectric tensor properties of a two-dimensional electron gas (2DEG) forming at the NM and the CoFeB interface. These properties comprise independent Drude parameters for the in-plane and out-of plane tensor components, with the latter having an epsilon-near-zero frequency within our working spectral range. A feature assigned to spin–orbit coupling (SOC) is identified. Furthermore, it is found that both, the interfacial properties, 2DEG Drude parameters and SOC strength, and the apparent DF of the MgO layer depend on the type of the underlying NM, namely, Pt, W, or Cu. The results reported here should be useful in tailoring novel phenomena in such types of heterostructures by assessing their optical response noninvasively, complementing existing characterization tools such as angle-resolved photoemission spectroscopy, and those related to electron/spin transport.

A kinetic treatment of surface plasmon polaritons in the Voigt configuration

The study of microscopic effects on the dispersion of surface magnetoplasmon polaritons is important. We use the collisionless Vlasov equation and Maxwell’s equations to evaluate the dielectric tensor for evaluating the dispersion relations of surface magnetoplasmon polaritons. We treat the case in the Voigt geometry assuming a semi-infinite dielectric medium. The direction of the magnetic field is considered parallel to the surface and perpendicular to the propagation vector k. The analysis shows the influence of additional microscopic kinetic effects. Standard Drude model results are retrieved in the absence of these effects.

La1−xSrxMnO3 Thin Films on Silicon Prepared by Magnetron Sputtering: Optimization of the Film Structure and Magnetic Properties by Postdeposition Annealing

Phys. Status Solidi B 2021, 258, 2100307 DOI: 10.1002/pssb.202100307 Published online: October 1, 2021 M. Monecke, P. Richter, D. Bülz, P. Robaschik, D. R. T. Zahn, G. Salvan Semiconductor Physics, Technische Universität Chemnitz, D-09107 Chemnitz, Germany E-mail: salva[email protected].tu-chemnitz.de The authors found a mistake in the sign of the calculated off-diagonal components of the dielectric tensor shown in Figure 9 of their article 10.1002/pssb.202100307. Figure 9 with the correct sign of εxy1 and εxy2, which is now in agreement with ref. [27] of the article, is shown here.

Optical properties of quasi-two-dimensional objects from time-dependent density functional theory: Longitudinal versus transverse dielectric functions

Comprehension of the electronic properties of nano-objects is a key to defining dedicated properties, which can be adjusted by changing their size. Beyond confinement effects, the presence of interfaces, i.e., places where there is an abrupt change of electronic density, should also play a role. Time-dependent density functional theory (TD-DFT) is a state-of-the-art ab initio formalism in which this effect is accounted for through the so-called local field effects. In an earlier paper [S. Mazzei and C. Giorgetti, Phys. Rev. B 106, 035431 (2022)], we showed that the framework inherited from three-dimensional crystals could not provide reliable absorption spectra. In the present paper, we propose to calculate the macroscopic average of the dielectric tensor of a quasi-two-dimensional (2D) object from the response function of the density to the total macroscopic potential in order to avoid use of the so-called Adler and Wiser formula. We evidence that the inclusion of interfaces in the thickness of the slab causes the response function for the out-of-plane component to move sharply from the bulk absorption resonance to the plasmon one. This shows that the longitudinal-longitudinal contraction of the dielectric tensor is no longer equal to the transverse-transverse one in a quasi-2D object for out-of-plane perturbation. Nevertheless, we also show that the macroscopic average of the dielectric tensor of an ultrathin slab calculated within the longitudinal formalism of TD-DFT depicts the properties of the transverse reflectance and transmittance spectra of a thin slab.

Polarity-dependence of the nonlinear dielectric response in interfacial water.

Molecular dynamics simulations are used to study the nonlinear dielectric responses of a confined aqueous film in a planar nanopore under perpendicular electric fields at varied voltages between confining graphene sheets. Dielectric saturation reminiscent of the bulk phase behavior is prevalent at very strong fields, whereas we observe a nonmonotonic permittivity dependence on the electric field at intermediate strengths where field-alignment and spontaneous polarization of interfacial water are of comparable magnitude. The coupling between the two effects results in distinct dielectric responses at opposite confinement walls. The normal component of both the differential dielectric constant and dielectric difference constant tensors averaged over the region closer to the wall under an incoming electric field (field pointing from the liquid to the solid phase) initially increases with the strength of the imposed field. The differential permittivity peaks at a field strength previously shown to offset the surface-induced orientation bias of hydration molecules at this wall. Further strengthening of the field results in a conventional saturation behavior. At the opposite wall (subject to outgoing field) and in the central region of the water slab, the nonlinear dielectric response resembles bulklike saturation. The conditions at the permittivity extremum coincide with the window of accelerated reorientation rates of interfacial water molecules under an incoming field we uncovered in earlier molecular dynamics analyses.

SITAR: A Code for ICRH Antenna–Plasma Coupling

We have developed an ICRF (ion cyclotron range of frequency) heating antenna code, SITAR (Simulation of ICRH anTennA Resistance), for stripline antenna to find out its impedance in the presence of plasma. The antenna is of finite poloidal and toroidal dimensions and screened from the plasma by the Faraday shield that shorts out the toroidal components of the radio frequency field. Antenna lead current as well as toroidal and poloidal current of antenna have been taken into account. A slab geometry model for coupling of antenna with tokamak plasma and a linear model of the perpendicular refractive index for the propagation of ICRF wave in the evanescent region have been considered. The plasma in the coupling region is described by a cold plasma dielectric tensor with nonuniform density and toroidal magnetic field along the radial direction.

The wave energy density and growth rate for the resonant instability in relativistic plasmas

ABSTRACT The wave instability acts in astrophysical plasmas to redistribute energy and momentum in the absence of frequent collisions. There are many different types of waves, and it is important to quantify the wave energy density and growth rate for understanding what types of wave instabilities are possible in different plasma regimes. There are many situations throughout our Universe where plasmas contain a significant fraction of relativistic particles. Theoretical estimates for the wave energy density and growth rate are constrained to either field-aligned propagation angles or non-relativistic considerations. Based on linear theory, we derive the analytic expressions for the energy density and growth rate of an arbitrary resonant wave with an arbitrary propagation angle in relativistic plasmas. For this derivation, we calculate the Hermitian and anti-Hermitian parts of the relativistic-plasma dielectric tensor. We demonstrate that our analytic expression for the wave energy density presents an explicit energy increase in resonant waves in the wavenumber range where the analytic expression for the growth rate is positive (i.e. where a wave instability is driven). For this demonstration, we numerically analyse the loss-cone driven instability, as a specific example, in which the whistler-mode waves scatter relativistic electrons into the loss cone in the radiation belt. Our analytic results further develop the basis for linear theory to better understand the wave instability, and have the potential to combine with quasi-linear theory, which allows to study the time evolution of not only the particle momentum distribution function but also resonant wave properties through an instability.

High Dielectric Constants in BaTiO3 Due to Phonon Mode Softening Induced by Lattice Strains: First Principles Calculations

AbstractHigh‐dielectric‐constant materials attract much attention due to their broad applications in modern electronics. Barium titanate (BTO) is an established material possessing an ultrahigh dielectric constant; however, a complete understanding of the responsible underlying physical mechanism remains elusive. Here a set of density‐functional‐theory calculations for the static dielectric tensors of barium titanate under strain has been performed. The dielectric constant increases to ≈7300 under strain. The analysis of the computed vibrational modes shows that transverse vibrational mode softening (the appearance of low‐frequency modes) is responsible for this significant increase as driven by the relationship between lattice contribution for the static dielectric constant (k) and vibrational frequency (ω), i.e., . The relevant vibrational mode indicates a large counter‐displacement of Ti ions and O anions, which greatly enhances electrical dipoles to screen the electric field. The calculations not only interpreted experimental data on the high dielectric constants of BTO, where the lattice deformation due to the strains from the grain nanostructure plays an important role, but also pointed to exploring high‐throughput calculations to facilitate the discovery of the advanced dielectric materials. Moreover, the calculations can prove useful for doped BTO, for which local strains fields can be achieved using defect engineering.

An optical absorption of the composite with the nanoparticles, which are covered by the surfactant layer

The optical properties of the nanocomposite with two-layer spherical inclusions “metallic core – surfactant layer” have been studied in the work. The question connected with an influence of the processes at the interface “metal – adsorbate” on the excitation of the surface plasmonic resonances in the nanoparticle has been studied. The fact of splitting of the surface plasmonic resonance due to the influence of the absorption bond near the surface of the metallic nanoparticles and due to the emergence of the additional energy states has been established. The relations for the effective parameters which describe the losses of coherence under the scattering at the chemical interface have been obtained. The calculations for the frequency dependencies of the diagonal components of the dielectric permittivity tensor of the two-layer nanoparticle and for the absorption coefficient of the nanocomposite have been performed. It has been shown that the frequency dependencies for the real and imaginary parts of the longitudinal component of the dielectric tensor are close to the similar dependencies for the real and imaginary parts of the dielectric function for the spherical metallic nanoparticle. At the same time the real and imaginary parts of the transverse component weakly depend on the frequency in the visible spectrum and oscillate in the infrared range. It has been established that the absorption coefficient of the composite can have one or two maximums depending on the sizes and the material of the particles-inclusions.

Study of physical properties of the quaternary full-Heusler alloy: FeMnCuSi

In this work, we investigated the physical properties of the Quaternary Full-Heusler alloy FeCuMnSi, including: the structural, magnetic, electronic, optical, and thermoelectric characteristics using the density functional theory (DFT) that has been implemented in the Wien2k package. The exchange-correlation potential has been performed in combination with the GGA-PBE and the modified Becke-Johnson (mBJ) semi-local interchange potential. Among others, we find that the studied compound presents a half-metal character. Moreover, we calculated and discussed the energy loss of electrons, the coefficient of absorption, the real dielectric tensor, the imaginary dielectric tensor, the real optical conductivity, and the imaginary optical conductivity. In addition, we examined the electrical conductivity, the Seebeck coefficient, the electronic, and the lattice thermal conductivity. Through Monte Carlo simulations, we have calculated the Curie temperature. By combining ab initio calculations and Monte Carlo simulations (MCS), we illustrated the magnetic properties and the magneto-caloric effects of the Quaternary Full-Heusler alloy FeCuMnSi. Explicitly, we have determined and examined the transition temperature, the change in magnetic entropy, and the relative cooling power coefficient.