Complex Refractive Index Research Articles

A Comprehensive Analysis of Ultraviolet Remote Sensing for Aerosol Layer Height Retrieval from Multi-Angle Polarization Satellite Measurements

Based on the optimal estimation (OE) theory and information content analysis method, we discuss the ability to include the multi-angle satellite ultraviolet polarization channel to retrieve the aerosol layer height (ALH) for ten typical aerosol types in the China region. We also quantitatively evaluate the effects of polarization measurements and the number of viewing angles on ALH retrieval under different conditions (aerosol model, aerosol optical depth, etc.). By comparing the different degree of freedom for signal (DFS) results of ALH caused by the theoretical retrieval error changes in different microphysical parameters in the aerosol and surface model, we identify the key factors affecting ALH retrieval. The results show that the extended ultraviolet band provides important information for ALH retrieval and is closely related to the scattering and absorption characteristics of aerosol models. The polarization measurements in fine mode reduce the posterior error of ALH retrieval by 6–39%; however, this is relatively small for coarse mode. In particular, when it is applied to the transported dust and background dust aerosol types, the posterior error is only reduced by 1–8% after adding polarization measurements. For these two aerosol types with weak absorption at the ultraviolet band, increasing the number of angles observed in addition to increasing the polarization channel will more effectively improve ALH inversion. Compared with other aerosol and surface model parameters, the retrieval errors for the total volume column, effective variance, real part of the complex refractive index, and surface reflectance are the main factors affecting ALH retrieval. Therefore, reducing the theoretical retrieval error of these parameters will be helpful.

Retrieval of Aerosol Microphysical Properties from Multi-Wavelength Mie–Raman Lidar Using Maximum Likelihood Estimation: Algorithm, Performance, and Application

Lidar plays an essential role in monitoring the vertical variation of atmospheric aerosols. However, due to the limited information that lidar measurements provide, ill-posedness still remains a big challenge in quantitative lidar remote sensing. In this study, we describe the Basic algOrithm for REtrieval of Aerosol with Lidar (BOREAL), which is based on maximum likelihood estimation (MLE), and retrieve aerosol microphysical properties from extinction and backscattering measurements of multi-wavelength Mie–Raman lidar systems. The algorithm utilizes different types of a priori constraints to better constrain the solution space and suppress the influence of the ill-posedness. Sensitivity test demonstrates that BOREAL could retrieve particle volume size distribution (VSD), total volume concentration (Vt), effective radius (Reff), and complex refractive index (CRI = n − ik) of simulated aerosol models with satisfying accuracy. The application of the algorithm to real aerosol events measured by LIlle Lidar AtmosphereS (LILAS) shows it is able to realize fast and reliable retrievals of different aerosol scenarios (dust, aged-transported smoke, and urban aerosols) with almost uniform and simple pre-settings. Furthermore, the algorithmic principle allows BOREAL to incorporate measurements with different and non-linearly related errors to the retrieved parameters, which makes it a flexible and generalized algorithm for lidar retrieval.

Microwave heating process of moderate-minced surimi based on multiphase porous media model.

Moderately processed surimi products exhibit better nutrient retention and enhanced gels, and the great potential of microwaves application and changes in the way of chopping meat has been reported by previous research. In this study, a systematic analysis of the novel surimi product was made to explore the heat and mass transfer characteristics. A porous media model combining electromagnetic heat and hygroscopic expansion was developed to evaluate this process, and its accuracy has been verified experimentally. It was found that the dielectric characterization of multiphase mixture system has great influence on the results, the complex refractive index mixture equation was used due to its lowest root-mean-square error value. In addition, the effect of moderate processing on microwave heating was examined in terms of porosity changes. However, nonuniform temperature distributions were found in the higher porous samples, especially when the porosity is greater than 0.81. Moreover, the developed model was coupled with the evaluation for gel properties and the results showed the significant effect of moderate crushing on the gel quality during the microwave heating process.

A Novel Analysis for Light Patterns in Nano Structures

Nano antennas have a significant role in photonic nanodevices due to the ability of concentrating radiation in a small space region. The confined fields present a high sensitivity to the used materials in that regions. The electromagnetic wave models of nanoantennas usually operate in the frequency domain. However, electromagnetic wave models in the time domain are just as important and more advantageous, for example, in light pulses propagation. In this article, a new stochastic method based on the ray model of light in absorbing media is presented and light patterns on a target near a nanoantenna are obtained. The optical properties of the materials are described by their complex refractive index. When dealing with photons in the time domain, this formulation allows the calculation of the probability of a given photon movement. Different patterns, obtained with the new method, are compared with a Finite Element Tool ones, leading to model validation. The simulated structure included an aperture nanoantenna. With this method, the results show the light confinement and the extraordinary optical transmission phenomenon, meaning some photons on the target are refracted and re-transmitted by the metal. Thus, the output beam is more intense than the transmitted directly by the apertures.

3D differential interference contrast microscopy using polarisation-sensitive tomographic diffraction microscopy.

Tomographic diffraction microscopy (TDM) is a generalisation of digital holographic microscopy (DHM), for which the illumination angle onto the sample is fully controlled, which has become a tool of choice for 3D, high-resolution imaging of unlabelled samples. TDM makes it possible to obtain the optical field in both amplitude and phase for each illumination angle. Proper information reallocation eventually allows for 3D reconstruction of the complex refractive index map. On the other hand, polarisation array sensors (PAS) paves new way for TDM, as vectorial information assessment about the investigated sample. In this contribution, we show an alternative use of this polarisation information based on the phase sensitive nature of TDM. Here, we demonstrated that TDM coupled with PAS can lead to a 3D differential interference contrast (DIC) microscope with almost no experimental configurationmodification.

Atom-to-Device Simulation of MoO3/Si Heterojunction Solar Cell

Metal oxides are commonly used in optoelectronic devices due to their transparency and excellent electrical conductivity. Based on its physical properties, each metal oxide serves as the foundation for a unique device. In this study, we opt to determine and assess the physical properties of MoO3 metal oxide. Accordingly, the optical and electronic parameters of MoO3 are evaluated using DFT (Density Functional Theory), and PBE and HSE06 functionals were mainly used in the calculation. It was found that the band structure of MoO3 calculated using PBE and HSE06 exhibited indirect semiconductor properties with the same line quality. Its band gap was 3.027 eV in HSE06 and 2.12 eV in PBE. Electrons and holes had effective masses and mobilities of 0.06673, -0.10084, 3811.11 cm2V-1s-1 and 1630.39 cm2V-1s-1, respectively. In addition, the simulation determined the dependence of the real and imaginary components of the complex refractive index and permittivity of MoO3 on the wavelength of light, and a value of 58 corresponds to the relative permittivity. MoO3 has a refractive index of between 1.5 and 3 in the visible spectrum, which can therefore be used as an anti-reflection layer for solar cells made from silicon. In addition, based on the semiconducting properties of MoO3, it was estimated that it could serve as an emitter layer for a solar cell containing silicon. In this work, we calculated the photoelectric parameters of the MoO3/Si heterojunction solar cell using Sentaurus TCAD (Technology Computing Aided Design). According to the obtained results, the efficiency of the MoO3/Si solar cell with a MoO3 layer thickness of 100 nm and a Si layer thickness of 9 nm is 8.8%, which is 1.24% greater than the efficiency of a homojunction silicon-based solar cell of the same size. The greatest short-circuit current for a MoO3/Si heterojunction solar cell was observed at a MoO3 layer thickness of 60 nm, which was determined by studying the dependency of the heterojunction short-circuit current on the thickness of the MoO3 layer.

Permittivity and Loss Characterization of Polymer Films for Terahertz Applications

With the development of science, terahertz (THz) technology has matured gradually. More attention has been given to THz technology in recent years due to its superiority for non-destructive testing. Dielectric polymers are widely used in electrical engineering because of their unique electrical properties. Spectral detection plays a vital role in studying the internal motion and micro-scale forces. THz time-domain spectroscopy (THz-TDS) is a powerful complement to other spectroscopy techniques because of its unique frequency band that energetically vibrates and rotates the polymer structure. Herein, we apply THz-TDS with an effective frequency of 0.1–1 THz at 55% relative humidity. TDS at 0.1–1 THz to conduct fundamental research on several commonly utilized dielectric non-polar and polar polymer films including PC, FTPE, PMMA, HDPE, PA6, PET, PP. In this study, the THz complex refractive index and dielectric constants of various polymer films are determined and compared with previously reported values. In addition, the loss mechanism of THz radiation in polymers is characterized by correlating the absorption coefficients of the materials with the loss tangents. Herein, we demonstrate that the sample preparation significantly impacts the loss behavior of polymer materials and quantify the effect of crosslinking on the dielectric constant across the entire frequency band. The findings presented herein are expected to contribute to the design and development of optical and electronic devices in the future.

Optical study of Ga2-xSnxO3 (0 ≤ x ≤ 0.7) thin films using spectroscopic ellipsometry and cathodoluminescence

Diagnosis of the semiconductor defect levels is essential for their device applications. The optical and electrical properties of Ga2-xSnxO3 (GTO, 0 ≤ x ≤ 0.7) films were investigated to look into the defect levels. Amorphous GTO thin films were grown on Si substrates with various Sn contents via radio frequency magnetron sputtering deposition. Thermal annealing at 900 °C for two hours was performed after the deposition of films at 500 °C to achieve the polycrystalline phase. We examined the physical properties of amorphous β-Ga2O3 thin films grown using various O2 gas flows during growth, and of the post-annealed GTO films. Using spectroscopic ellipsometry, the optical constants in the spectral range between 1.0 and 6.0 eV were determined. We estimated the optical gap energy of the GTO layers using the Tauc method. The optical gap energy was approximately 4.9 eV for amorphous β-Ga2O3 films. Optical structures owing to defects were found below optical gap energy in the spectra of the complex refractive index. Using cathodoluminescence (CL) spectroscopy, there were several peaks discovered in the range between 1.5 and 3.0 eV. The CL peaks correspond to transitions between valence (conduction band) and defect-induced gap states. We identified the 1.5 − 1.6 eV peak as the transition between defect states and the conduction band. The extinction coefficient (k) peak became sharper at 5.3 eV suggesting a strong excitonic behavior at the fundamental gap for amorphous Ga2O3 films.

Tunable exciton-plasmon coupled resonances with Cu2+/Cu+ substitution in self-assembled CuS nanostructured films

Localized surface plasmon resonance (LSPR) coupled with exciton resonances in semiconductor nanostructures are crucial for extended spectral range of light matter interactions beyond diffraction limits. Here, we report the tunable coupling of exciton-plasmon resonances with Cu2+ substitution for Cu+ in pure covellite phase of CuS nanostructures by chemical bath deposition (CBD) method. The synthesized self-assembled multilayered nanostructures in shape of nanorods and nanoflakes are found to dramatically change their near field coupling resonances with Cu2+ substitution. The near normal incidence reflectance spectra is fitted by Drude-Lorentz oscillator model constrained with Kramers-Kronig relations to obtain various optical parameters. The substitution of Cu2+ ions found to significantly tune the complex refractive index nearby or below unity for wavelengths approaching plasmon frequency and correspondingly develop epsilon near zero (ENZ) modes in permittivity. The absorption spectrum measured with two different methods is used to distinguish the type of resonances in hybrid states. Raman spectra reveal the enhancement in intensity of A1g modes by four times. The carrier concentration and mobility were measured using Hall measurements. X-ray photoelectron spectroscopy (XPS) reveals the variable oxidation states of the constituent elements. This work demonstrates simplistic approach for efficient fabrication of quantum confined nanostructures for improved light-matter interactions.

Sub-mm/mm optical properties of real protoplanetary matter derived from Rosetta/MIRO observations of comet 67P

ABSTRACT Optical properties are required for the correct understanding and modelling of protoplanetary and debris discs. By assuming that comets are the most pristine bodies in the Solar system, our goal is to derive optical constants of real protoplanetary material. We determine the complex index of refraction of the near-surface material of comet 67P/Churyumov–Gerasimenko by fitting the sub-millimetre/millimetre observations of the thermal emission of the comet’s sub-surface made by the Microwave Instrument for the Rosetta Orbiter with synthetic temperatures derived from a thermophysical model and radiative-transfer models. According to the two major formation scenarios of comets, we model the sub-surface layers to consist of pebbles as well as of homogeneously packed dust grains. In the case of a homogeneous dusty surface material, we find a solution for the length-absorption coefficient of α ≈ 0.22 cm−1 for a wavelength of 1.594 mm and α ≥ 3.84 cm−1 for a wavelength of 0.533 mm and a constant thermal conductivity of 0.006 W m−1 K−1. For the pebble scenario, we find for the pebbles and a wavelength of 1.594 mm a complex refractive index of $n = (1.074 \!-\! 1.256) + \mathit{i} \, (2.580 \!-\! 7.431)\times 10^{-3}$ for pebble radii between 1 and 6 mm. Taking into account other constraints, our results point towards a pebble make-up of the cometary sub-surface with pebble radii between 3 and 6 mm. The derived real part of the refractive index is used to constrain the composition of the pebbles and their volume filling factor. The optical and physical properties are discussed in the context of protoplanetary and debris disc observations.

Detour-phased perovskite ultrathin planar lens using direct femtosecond laser writing

Perovskite-enabled optical devices have drawn intensive interest and have been considered promising candidates for integrated optoelectronic systems. As one of the important photonic functions, optical phase modulation previously was demonstrated with perovskite substrate and complex refractive index engineering with laser scribing. Here we report on the new scheme of achieving efficient phase modulation by combining detour phase design with 40 nm ultrathin perovskite films composed of nanosized crystalline particles. Phase modulation was realized by binary amplitude patterning, which significantly simplifies the fabrication process. Perovskite nanocrystal films exhibit significantly weak ion migration effects under femtosecond laser writing, resulting in smooth edges along the laser ablated area and high diffractive optical quality. Fabrication of a detour-phased perovskite ultrathin planar lens with a diameter of 150 μm using femtosecond laser scribing was experimentally demonstrated. A high-performance 3D focus was observed, and the fabrication showed a high tolerance with different laser writing powers. Furthermore, the high-quality imaging capability of perovskite ultrathin planar lenses with a suppressed background was also demonstrated.

Experimental Study on the Variation of Soil Dielectric Permittivity under the Influence of Soil Compaction and Water Content

The dielectric permittivity of common soils is mainly controlled by water content and porosity, while the latter is closely related to the characteristics of compaction. By studying the changes in dielectric permittivity of soil samples with different soil water content and compaction levels, the influence of the controlling factors on the relationship model between soil water content and dielectric permittivity can be evaluated. In this paper, network analyzer was used to measure the dielectric permittivity of 7 groups of soil samples with gravimetric water content ranging from 8.09% to 14.52% and dry density ranging from 1.61 g/cm3 to 1.96 g/cm3. The results show that the dielectric permittivity increases with the increase of water content and dry density, and the effect of water content on permittivity is more significant for soils with higher dry density. Furthermore, when the water content is less than or equal to the optimal water content, Topp formula and the complex refractive index model (CRIM) can better predict the soil dry density. When the water content approaches the saturated state of soil, there is a deviation between the predicted value and the actual value. At last, the modified Topp formula and the complex refractive index model (CRIM) can accurately predict soil compactness. This provides an important basis for rapid detection of water content and compactness of highway subgrade soil by ground penetrating radar.

Hydrogeophysical characterization and determination of petrophysical parameters by integrating geophysical and hydrogeological data at the limestone vadose zone of the Beauce aquifer

The hydrological characterization of the vadose zone remains a major challenge considering the spatiotemporal variability of its properties and the limitations associated with hydrological measurements techniques. Geophysical methods, in particular the DC-resistivity and ground penetrating radar, can provide large scale images of hydrogeological structures and a non-invasive assessment of the subsurface dynamic processes. However, these approaches rely on the accuracy of the petrophysical relationships connecting the geophysical parameters to hydrogeological ones, where the site-specific determination of the associated petrophysical parameters is considered crucial. The first objective of this study was to investigate the relationship between the water content, geological properties, and geophysical attributes at the vadose zone of a vulnerable limestone aquifer. The second objective aimed to obtain the Archie’s and Complex Refractive Index Model (CRIM) petrophysical parameters by using borehole electrical resistivity and cross-hole ground penetrating radar data. For this purpose, we adopted a grid search inversion algorithm where the field geophysical data were integrated with water content profiles simulated by using HYDRUS-1D. The vadose zone profile was divided into three layers, and the inversion was carried out for the petrophysical parameters in each of the model layers. The electrical resistivity and relative dielectric permittivity data showed a very good correspondence with the simulated and experimental water content distributions along the vadose zone profile. The petrophysical parameters estimated by the inversion showed values that fall in the ranges reported in the literature. Similar values have been observed in the different model layers, with slight differences that were attributed to the vertical heterogeneities associated with the alteration and fracturation features of the limestone vadose zone. This study showed a very good correlation between geophysical, hydrogeological and geological data, and highlighted the presence of heterogeneities that can have profound effects on the vadose zone water dynamics.

Retrieval of refractive indices of ten volcanic ash samples in the infrared, visible and ultraviolet spectral region

Volcanic eruptions can emit large amounts of ash into the atmosphere, which can have significant impacts on infrastructure, human health, agriculture and air traffic. Remote sensing instruments can efficiently detect airborne ash plumes, and the measured spectra can be exploited to obtain information on the physical characteristics of ash (grain size distribution, concentration, optical depth). The key parameter on which all such satellite retrievals depend is the complex refractive index (CRI) which remains one of the largest sources of uncertainty in the retrieval process. Here we present a complementary dataset of refractive indices of volcanic ash to that published by Deguine et al. (2020), to cover a part of the major explosive eruptions occurred during the past 50 years. These CRIs were obtained using an innovative experimental methodology which consists in measuring simultaneously the extinction spectra in the IR and UV/visible domain and the size distribution of ash in suspension in a nitrogen flow. These experimental data are the main input to the retrieval process of CRI. The numerical routine uses Mie theory coupled with Kramers–Kronig relationship to retrieve the imaginary and the real part of the complex refractive index. This methodology has been successfully applied on samples collected from various eruptions and deposits in Indonesia (Kelud), Chile (Chaitén), Italy (Stromboli), Russia (Karymsky), Tanzania (Rungwe, Mount Meru), Ethiopia (Corbetti), Philippines (Taal, Pinatubo) and USA (Mount St. Helens). Significant variations of the real and imaginary part of the CRI are observed according to the chemical composition of the samples. Moreover, the sensitivity of the CRI to chemical composition and mineralogical structure (amorphous/crystalline fraction) has been investigated and shows a strong dependence of the CRI on these parameters.

Optical Epidermal Mimicry from Ultraviolet to Infrared Wavelengths.

Optical tissue phantoms present substantial value for medical imaging and therapeutic applications. We have developed an epidermal tissue phantom to mimic the optical properties of human skin from the ultraviolet to the infrared region, exceeding the breadth of existing studies. An epoxy matrix is combined with melanin-mimicking polydopamine via a cost-effective fabrication strategy. Reflectance and transmittance measurements enable calculation of the wavelength-dependent complex refractive index and absorption coefficient. Results are compared with literature data to establish agreement with a real human epidermis. By analyzing emissive power at a typical skin temperature, the epidermal tissue phantom is shown to accurately mimic the radiative properties of human skin. This simple, multifunctional material represents a promising substitute for human tissue for a variety of medical and bioengineering applications.

Broadband spectroscopy of astrophysical ice analogues

Context. Broadband optical constants of astrophysical ice analogues in the infrared (IR) and terahertz (THz) ranges are required for modeling the dust continuum emission and radiative transfer in dense and cold regions, where thick icy mantles are formed on the surface of dust grains. Such data are still missing from the literature, which can be attributed to the lack of appropriate spectroscopic systems and methods for laboratory studies. Aims. In this paper, the THz time-domain spectroscopy (TDS) and the Fourier-transform IR spectroscopy (FTIR) are combined to study optical constants of CO and CO2 ices in the broad THz-IR spectral range. Methods. The measured ices were grown at cryogenic temperatures by gas deposition on a cold silicon window. We developed a method to quantify the broadband THz-IR optical constants of ices, based on the direct reconstruction of the complex refractive index of ices in the THz range from the TDS data and the use of the Kramers-Kronig relation in the IR range for the reconstruction from the FTIR data. Uncertainties introduced by the Kramers-Kronig relations were eliminated by merging the THz and IR spectra. Finally, the reconstructed THz-IR response was analyzed using classical models of complex dielectric permittivity. Results. The complex refractive index of CO and CO2 ices deposited at the temperature of 28 K was obtained in the range of 0.312.0 THz and fitted using the analytical Lorentz model. Based on the measured dielectric constants, opacities of the astrophysical dust with CO and CO2 icy mantles were computed. Conclusions. The method developed in this work can be used for a model-independent reconstructions of optical constants of various astrophysical ice analogs in a broad THz-IR range. Such data can provide important benchmarks for interpreting broadband observations from existing and future ground-based facilities and space telescopes. The reported results will be useful in modeling sources that exhibit a drastic molecular freeze-out, such as the central regions of prestellar cores and mid-planes of protoplanetary disks, as well as CO and CO2 snow lines in disks.

Quasi-Optical Measurement and Complex Refractive Index Extraction of Flat Plate Materials Using Single Time-Domain Transmission Model in Y-Band

Accurate acquisition of the complex refractive index of materials is of great significance to understand their physical properties. Based on a single time-domain transmission model in <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$Y$ </tex-math></inline-formula> -band, here, we develop a free-space nondestructive testing method combined with parameter extraction of flat plate materials. This method overcomes the limitation of the narrow frequency band of S-parameters of vector network analyzer (VNA), truncates multiple echo interferences in time-domain signals inside sample after the inverse fast Fourier transform (IFFT), and eliminates the crimping effect of the calculation results. In order to ensure the good signal integrity of the model, an empirical formula is proposed to calculate the minimum thickness of the sample corresponding to unit bandwidth. An <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$8f$ </tex-math></inline-formula> quasi-optical system is designed and optimized to provide a measuring condition of terahertz (THz) plane wave with high energy density. Compared with the values calculated by the conventional methods, the refractive index deviation is less than 0.004 (0.2%), which verifies the effectiveness and applicability of our proposed method. The adaptability of different processes to the corresponding physical transmission model is further analyzed, and the reasons for the calculation deviation are explained. This work reduces the complexity and difficulty of the material measurement in the <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$Y$ </tex-math></inline-formula> -band, as well as the requirements of system calibration.

Crosspolarization with imperfect infrared polarizers

The analysis of vibrational bands is a core application of infrared (IR) spectroscopy. Polarization-dependent measurements enable the study of anisotropic materials. However, imperfect IR polarizers exhibit polarizer leakage, which causes pronounced bandshape and baseline distortions for samples with weak optical anisotropy. Based on the 4 × 4 Mueller-matrix formalism, we propose a polarimetric measurement scheme for handling imperfect polarizers and source prepolarization that delivers correct co- and crosspolarized transmission and reflection IR spectra. The scheme is applied to a weakly anisotropic polypropylene sheet, resolving crosspolarized signatures as small as 5⋅10−5. We determine the polymer’s direction-dependent complex refractive index in the vibrational fingerprint range.

Impact of Self‐Absorption and Cavity Effects on the Electroluminescence Spectra of Thin‐Film Solar Cells

Thin‐film organic and perovskite solar cells have seen tremendous advances in recent years. A common technique to characterize the low‐energy states in these solar cells is electroluminescence spectroscopy. Stemming from their thin film nature, however, the outcoupled electroluminescence spectra of these devices are affected by cavity effects and self‐absorption. Herein, a modeling approach is developed taking into account self‐absorption, cavity effects, and a nonhomogeneous emission profile, to correct the outcoupled spectrum, thereby yielding the intrinsically emitted spectrum. The modeling approach is then employed to structurally investigate the impact of these effects for a variety of active layer thicknesses, complex refractive indices, device structures, and emission profiles. The data presented uncover trends and provide guidelines that enable gauging the impact of self‐absorption and cavity effects on the electroluminescence spectra of a large set of thin‐film devices.

First-principles calculations to investigate the optoelectronic, and thermoelectric nature of zinc based group II-VI direct band semiconductors

The electronic structure, optical, and thermoelectric properties of novel zinc-based group II-VI semiconductors are investigated using first-principles calculations based on density functional theory. The ternary type materials' structural parameters and electronic band profiles were computed with the advanced TB-mBJ potential. Our computations indicated that the materials are direct band-type semiconductors, with energy gaps of 1.65 eV for MgZnO2 and 2.54 eV for MgZnS2, respectively. If the adjacent valence band is retained, the motion linked with conduction band minima around the Fermi level would most likely reproduce the function in the band gap opening, being the major reason for the decrease in the band gap value from MgZnS2 to MgZnO2. For these materials, the estimated total density of states showed a progressive move along with the energy value. To investigate the optical transitions in these materials, linear optical characteristics such as the complex dielectric function, loss functions, absorption coefficients, reflectivity spectra, and refractive indices were computed and discussed. Furthermore, the thermoelectric properties of these materials were calculated indicating that these materials are competent for applications involving thermoelectric devices.