Absorption Coefficient Spectra Research Articles

Structural, electronic and optical properties of α -Si3N4, β-Si3N4 and γ-Si3N4 using density functional theory

Density Functional Theory (DFT) has in recent years gained a lot of popularity and has become an efficient and reliable tool in the study of material properties. This is specifically due to its computational convenience and excellent results in the prediction of material properties, which is aided by the development of highly efficient and accurate functionals. DFT has successfully been applied in a vast study of material at both ground and excited states. In this study based on DFT structural, optical, electronic properties and phonon frequency of silicon nitrides of different phases were studied using the GGA as exchange-correlation functional. For the electronic band gap calculation the results was obtained using the GGA and the hybrid HSE06 respectively for α -Si3N4 with space group (P31c), β-Si3N4 with space group (P63/m) and γ-Si3N4 phase polymorph with space group (14‾3d). Results obtained for the phases α -Si3N4 shows a narrow indirect band gap while β and γ -Si3N4 indicate a wide indirect band gap material for wide possible application in high temperature and high-power applications. Cohesive energy calculation and phonon frequencies were obtained to check the mechanical and dynamic stability of the three different phases. Results obtain for density of states, partial density of states and the optical properties, such as absorption coefficient, refractive index, extinction coefficient, reflectivity and electron energy loss spectra which all show good agreement with previous studies and relative experimental data.

Sound absorbers from walnut shell waste: measurement and models

Waste walnut shells have been cleaned, dried, chopped, glued, pressed, and molded to form porous cylinders for measurement of normal incidence sound absorption coefficient spectra in an impedance tube. Porosities and flow resistivities have been measured non-acoustically. Field Emission Scanning Electron Microscopy images, used to obtain fragment size for determining shell density, reveal that the fragment surfaces are rough, which may influence acoustical performance. Measured absorption spectra have been compared with predictions of two analytical models for acoustical properties of rigid porous media, which assume microstructures of identical uniform parallel slanted slits (SS) and non-uniform cylindrical pores with a log normal radius distribution (NUPSD) respectively. Measured values of flow resistivity and porosity are used in the models but tortuosity is adjusted to give best agreement with the quarter wavelength resonance in the measured absorption coefficient spectra. Predictions agree best with data for samples made from the smallest shell fragments. These samples have the highest values of tortuosity, flow resistivity and offer good absorption at speech frequencies which suggests that recyclable and sustainable sound absorbers made from walnut shell wastes could be useful for controlling indoor reverberation..

Application of terahertz time-domain spectroscopy and chemometrics-based crested porcupine algorithm in identification of different medicinal parts of Angelica sinensis

ObjectiveAngelica sinensis is one of the commonly used Chinese herbal medicine in traditional Chinese medicine clinic, exhibits different pharmacological characteristics due to variations in the content of active ingredients in its head, body, and tail. Therefore, research on the identification methods of different medicinal parts of Angelica sinensis is of great practical significance. Terahertz Time-Domain Spectroscopy (THz-TDS) technology is widely used in the field of nondestructive testing because of its unique electromagnetic wave characteristics. This study explores the feasibility of combining THz-TDS with chemometrics to identify different medicinal parts of Angelica sinensis. MethodsBy comparing the spectral response characteristics of different parts of Angelica sinensis to various optical parameters, the absorption coefficient spectrum in the 0.6–3.0 THz range was selected, and three types of feature extraction algorithms, namely, joint Competitive Adaptive Reweighted Sampling (CARS), Uninformative Variable Elimination (UVE), and Successive Projections Algorithm (SPA), were used to establish the classification models of Extreme Learning Machine (ELM), Random Forest (RF), and Support Vector Machine (SVM) in turn, and optimize the models by using the crown porcupine algorithm (Crested Porcupine Optimizer (CPO) to optimize the model. ResultsThe research results indicate that the CPO optimizer significantly improved the classification accuracy of the models, with the accuracy of the ELM, RF, and SVM models increasing by 4.36%, 1.11%, and 12.22%, respectively. The SPA-CPO-SVM model exhibited the best overall performance, achieving accuracies of 96.11% and 97.96% on the prediction and training sets, respectively, while the number of input features was only 5% of the total feature set. ConclusionThe results show that the fully joint feature extraction strategy and optimization algorithm can play a powerful synergistic effect in model construction, confirming the feasibility of THz-TDS technology to correctly identify different medicinal parts of Angelica sinensis, and providing an important reference for the application of terahertz technology in the identification of Chinese herbal medicines.

Optical Characterization of Hydrogel and Silicone Hydrogel Soft Contact Lenses

Contact lenses are biomaterials that have emerged as an alternative to glasses in correcting vision defects. In this study, commercial nesofilcon A (hydrogel-Hy) and delefilcon A (silicone hydrogel-SiHy) daily disposable soft contact lenses were optically examined using UV-visible light spectroscopy. Optical absorption and transmittance measurements of the lenses were taken with a UV-visible spectrophotometer, and their properties of blocking the harmful part of the radiation to the eye and transmitting the harmless part were investigated. From the absorption spectrum, it was seen that the nesofilcon A lens absorbed ultraviolet light better. From the optical absorption coefficient spectra of nesofilcon A and delefilcon A lenses, the absorption edges were obtained as 386 and 325 nm, and the optical band gap values were 3.37 and 3.98 eV, respectively. Additionally, the refractive index profiles of the lenses were plotted. The refractive indices of the lenses at 550 nm wavelength were calculated as 1.55 and 1.77 for nesofilcon A and delefilcon A, respectively. While the delefilcon A lens transmitted visible light well, the nesofilcon A lens blocked UV light better and its refractive index was determined to be closer to the 1.40 the value specified by the manufacturer.

The structural, mechanical, electronic, and optical properties of monolayer and bilayer ABC3(A [dbnd] Ga, In; B [dbnd] Si, Ge; C [dbnd] S, Se, Te)

This paper studies the structural, mechanical, optical, and electronic characteristics of monolayer and bilayer ABC3 (AGa, In; BSi, Ge; CS, Se, Te). Their characteristics are obtained using the density functional theory with van der Waals (vdW) correction. The stability is confirmed by examining Born’s criterion, cohesive energy, phonon dispersions, and COHP analysis. In addition, the stability of these monolayers against tensile strain is explored. The electronic properties are extensively studied through band structure, PDOS, and effective masses. The optical properties are investigated for possible applications in optoelectronic devices. In the following, bilayer ABC3 with three different stacking orders is investigated. Most of the monolayers and bilayers ABC3 show an indirect bandgap. The contributions of each element at the valence and conduction bands are explored through the projected density of the state. The effective mass is derived for the valence and conduction band valleys, whereas the Γ-valley shows the lowest effective mass. Additionally, both real and imaginary parts of the dielectric constant, electron energy loss spectra, and optical absorption are studied, which might lead to intriguing usages in photovoltaic and electroluminescent systems. The analysis of the optical properties reveals that the studied monolayers and bilayers have acceptable visible-range absorption characteristics. Furthermore, the monolayer and bilayer ABC3 dielectric function and absorption coefficient spectra display prominent optical peaks in the UV light range. Due to their distinct band gaps and optical characteristics, monolayer and bilayer ABC3 materials are good prospects for upcoming electrical and optoelectronic applications.

Identification and quantification of adulteration in collagen powder by terahertz spectroscopy − the effect of spectral characteristics on performance is considered

Terahertz spectroscopy is an emerging rapid detection method that can be used to detect and analyze food quality issues. However, models developed based on various spectral characteristics of terahertz have shown different performances in food identification. Therefore, we preliminarily analyzed the effect of terahertz spectral characteristics on the identification and quantification of collagen powder adulterated with food powders (plant protein powder, corn starch, wheat flour) with the use of random forest (RF), linear discriminant analysis (LDA), and partial least squares regression (PLSR), and determined the spectral characteristics suitable for identification and quantitative analysis. Then, the selected spectral characteristics data were preprocessed using baseline correction (BC), gaussian filter (GF), moving average (MA), and savitzky-golay (SG). Feature variables were extracted from preprocessed spectral characteristics data using genetic algorithm (GA), random forest (RF), and least angle regression (LAR). The study indicated that the BC-GA-LDA classification model based on the absorption coefficient spectra achieved an accuracy of 96.96% in identifying adulterated collagen powder. Additionally, the GA-PLSR model developed based on the power spectra demonstrated excellent performance in predicting adulteration levels, with the coefficient of determination (Rp2) values ranging from 0.93 to 0.99. The results showed that the rational selection of terahertz spectral characteristics is highly feasible for the accurate detection of collagen powder adulteration.

Structural, optical spectroscopic, and density functional theory calculations of squaraine dye for organic electronic applications

The structural, optical spectroscopic, and density functional theory calculations of 2,4-Bis[4-(N,N-diisobutylamino)−2,6-dihydroxyphenyl] squaraine dye (SQ) are promising investigations that can be useful in photochemical mechanisms explanation and in designing promising chemosensors. The nature of the bonds, the chemical composition of SQ, crystallographic structure, morphology, and quality characteristics were explored by FTIR, XRD, and SEM investigations. The crystallite size, the dislocation density, and the lattice strain were found to be 57.3 nm, 3.045 × 10−4 nm−2, and 3.065 × 10−3, respectively. The spectrum behavior of the absorbance and molar absorption coefficient spectra of SQ in DCM with three concentrations were analyzed to get some important optical properties of SQ dye. The determined optical gap transition equals Egapopt=1.81eV. Quantum chemical computations and optimized molecular geometries identified where electrophilic attacks are likely and analyzed the molecule’s electrostatic potential. Using DFT calculations at the B3LYP/6-31+G(d,p) level, the electronic structure of the squaraine molecule was confirmed, showing a HOMO–LUMO gap of 1.73 eV. MEP analysis indicated that the oxygen atoms are electron-rich, suggesting potential for hydrogen bonding and electrophilic interactions.

First principle investigations of opto-electronic and thermoelectric response of A2TlAsX6 (A = K, Rb; X = Cl, Br) compounds

We have investigated the structural, electronic, optical, and thermoelectric behavior of halide-based double perovskites A2TlAsX6 (A = K, Rb; X = Cl, Br) compounds to reveal their potential in various opto-electronic and thermoelectric applications using first-principle calculations. For the computation of the various properties of A2TlAsX6 (A = K, Rb; X = Cl, Br) compounds, we have used approximations available within density functional theory (DFT). The energy bands and density of states have been used to elucidate the electronic response of the studied compounds, while the interpretation of optical properties is presented in terms of dielectric tensor, absorption coefficient, reflectivity, refraction and energy loss spectra. The investigated compounds exhibit a direct band gap within the energy range of 1.36 to 2.24 eV, indicating the promising nature of these compounds for diverse optoelectronic applications. Moreover, thermoelectric properties such as the figure of merit, power factor, Seebeck coefficient, specific heat, electric and thermal conductivity have also been computed for the studied compounds. Our investigation unveils the remarkable optoelectronic characteristics of the studied perovskites, which can be attributed to their advantageous bandgap and highly effective light absorption capabilities. Furthermore, these perovskites showcase exceptional thermodynamic stability, elevated electrical conductivity, favorable figure of merit (ZT) values, and reduced thermal conductivities. These findings suggest their suitability for applications in optoelectronic devices and thermoelectric applications. In this study, it is found that A2TlAsBr6 compounds exhibit significant absorption in the visible spectrum, rendering them more favorable for optoelectronic applications compared to A2TlAsCl6 compounds. Conversely, for thermoelectric applications, the Cl-based perovskites studied show greater promise than their Br-based counterparts. The modified Becke–Johnson (mBJ) potential emerges as the most precise approach for analyzing the electronic, optical, and thermoelectric characteristics of A2TlAsX6 (where A = K, Rb; X = Cl, Br) perovskites, surpassing other approximations utilized in present study.

Insights into the optoelectronic, thermodynamic, and thermoelectric properties of novel BaYCuX3 (X = Se, Te) semiconductors from first-principles investigation

The widely used density functional theory was employed to study an intricate relationship of the optoelectronic, thermodynamic, and transport features of novel quaternary BaYCuX3 (X = Se, Te) semiconductors. The conduction band region is significantly impacted by the Ba-d and Y-d states, with negligible contributions from the S-s/p/d and Te-s/p/d states. The valence and conduction bands peak at the high symmetry Γ and Y sites, revealing an indirect energy band nature. The predicted band gaps for the BaYCuSe3 and BaYCuTe3 using the WC-GGA and TB-mBJ approximations are 0.96, 1.31 eV, and 0.54, 0.89 eV, respectively. The small atomic size of selenium in BaYCuSe3 material contributes to strong bonding, resulting in a larger energy gap as compared to BaYCuTe3. Maximum values of ε1(ω) drop as photon frequency increases, eventually approaching negative in some energy ranges. The absorption coefficient spectra shifted toward lower energy as the anion changed from Se to Te. Furthermore, the BaYCuTe3 has plasmon resonances at higher energies as compared to BaYCuSe3, resulting in increased energy loss. Furthermore, the BaYCuTe3 material exhibits maximum thermal conductivity than BaYCuSe3 across the whole temperature range.

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.

Nanometric determination of the thickness of aqueous samples for accurate molar absorption coefficients of water-soluble molecules in the mid-infrared region

Absorption spectra of aqueous samples measured by transmission need to be acquired using very thin cells (5–50 μm) when targeting the mid-infrared (mid-IR) region due to the strong background absorbance of liquid water. The thickness of the cell used controls the pathlength of the light through the sample, a value needed to transform absorption spectra into molar absorption coefficient spectra, or to determine solute concentrations from absorption spectra. The most accurate way to determine the thickness of an empty cell (i.e., filled with air) is from the period of an interference pattern, known as interference fringes, that arises when the cell is placed perpendicular to the path of light in the spectrometer. However, this same approach is not directly applicable to determine the thickness of a cell filled with an aqueous solution, due partially to the smaller amplitude of the interference fringes but fundamentally caused by its complex waveform, with a wavenumber-dependent oscillation period. Here, using Fresnel equations, we derived analytical expressions to model interference fringes in absorption spectra obtained by transmission, which are also valid for aqueous samples. We also present a novel Fourier-based analysis of the interference fringes that, in combination with the derived analytical expressions, allowed us to determine the pathlength of aqueous samples with an error below ∼ 50 nm. We implemented this novel approach to analyze interference fringes as a Live Script running in the software Matlab. As an application, we measured the absorption spectra of a 97 mM solution of MES buffer at pH 3.4 and pH 8.4 using cells of various nominal thicknesses (6, 25 and 50 μm), whose actual thicknesses were determined using the present approach. The derived molar absorption coefficient spectrum for both the acidic and basic forms of MES were virtually identical regardless of the cell, indicating that the determined thicknesses were likely very accurate. These results illustrate the utility of the present methodology in obtaining accurate molar absorption coefficient spectra of water-soluble molecules in the mid-IR region.

Wood chip sound absorbers: Measurements and models

Normal incidence absorption coefficient spectra of samples made from glued wood chips have been measured for various mesh sizes, bulk densities, thicknesses, and air gaps. Increasing thickness introduces additional layer resonance peaks and shifts the initial peak towards lower frequencies. The wood chip samples composed of the smallest mesh sizes were found to offer the highest sound absorption, comparable with that of the same thickness of materials made from synthetic fibers. Measured absorption spectra are compared with predictions of four models for the acoustical properties of rigid porous media. These include a model for slanted parallel identical uniform slits (SS), the Johnson-Champoux-Allard (JCA) and Johnson-Champoux-Allard-Lafarge (JCAL) models for arbitrary pore structures, and model for a non-uniform pore size distribution (NUPSD). Porosity and flow resistivity values have been determined non-acoustically. However, the tortuosity and characteristic lengths required for the JCA model have been obtained by fitting the measured absorption spectra. The thermal permeability required for the JCAL model has been deduced indirectly from the fitted tortuosity through a relationship with standard deviation of the pore size distribution due to the NUPSD model. JCAL and JCA models give the best agreement overall, but predictions of the SS and NUPSD models that use only the fitted tortuosity in addition to measured porosity and flow resistivity are found to give comparable agreement with data for many samples. SS and NUPSD predictions are improved by increasing the tortuosity values compared with those obtained by fitting the JCA model. The study should encourage the creation of sustainable sound-absorbing materials from wood chip wastes.

Analysis of the experimental absorption spectrum of the rabbit lung and identification of its components.

The broadband absorption coefficient spectrum of the rabbit lung presents some particular characteristics that allow the identification of the chromophores in this tissue. By performing a weighted combination of the absorption spectra of water, hemoglobin, DNA, proteins and the pigments melanin and lipofuscin, it was possible to obtain a good match to the experimental absorption spectrum of the lung. Such reconstruction provided reasonable information about the contents of the tissue components in the lung tissue, and allowed to identify a similar accumulation of melanin and lipofuscin.

A comprehensive investigation on the physical properties of SiC polymorphs for high-temperature applications: A DFT study based on GGA and hybrid HSE06 exchange correlation functionals

This investigation reports the structural, electronic, bonding, elastic, mechanical, thermodynamic, thermal and optical characteristics of SiC polymorphs by DFT based GGA and hybrid HSE06 ab-initio computational methodology. SiC exhibits a multitude of structural orientations, with cubic (3C SiC) and hexagonal (4H SiC and 6H SiC) being the most prevalent. In my research, I aim to gain a comprehensive understanding of these SiC polymorphs and their potential suitability for high-temperature applications, especially as a cladding material for accident-tolerant fuel (ATF) in new-generation nuclear power plants (NPPs). The structural stability is ensured by geometry optimization and the relaxed parameters are agreed well with the previously reported findings. All the studied SiC polytypes reveal the semiconducting electronic property. By utilizing the hybrid HSE06 functional, the obtained electronic band gap meets the experimental results more closely than that obtained by the GGA approximation. The mechanical stability of all studied SiC polymorphs is evident from their elastic and mechanical properties, showcasing a brittle nature. The analysis of bond populations reveals the coexistence of both ionic and covalent bonds within the SiC structure. The thermoelectric and thermal characteristics of mechanically stable SiC polymorphs revealing that, all the compounds possess high lattice thermal conductivity and high melting point. Among these, 3C SiC stands out with the highest thermal conductivity of 172 Wm-1K−1 at 300 K and a melting temperature of 2840 K. The relatively low dielectric constant, high absorption coefficient and broad reflectivity spectra with > 90 % reflection in the UV region suggest that, SiC polymorphs can also be the potential candidates for optoelectronic devices. All the extreme physical stabilities make SiC polymorphs suitable for practical applications in high temperature environments.

Terahertz Time-Domain Spectroscopic (THz-TDS) Insights into Protein Deformation

In this study, we utilized terahertz time-domain spectroscopy (THz-TDS) to study the radiation-induced protein deformation. The absorption coefficient spectra obtained from THz-TDS measurements in the frequency range (0.06–2 THz) was fitted using the Lorentzian model. The absorption coefficient fitting data was used to identify the α-helix and β-structure relative contributions in the protein secondary structure of the kidney tissue of rats irradiated with 10-cGy and 2-Gy X-ray separately or in combination. Our data show that 2-Gy X-irradiation leads to an increase in the β-structure contribution associated with a decrease in the α-helix contribution as indicated by the fitting parameters extracted from fitting the absorption coefficient α(ω) spectra with the Lorentzian function. The results point out that there is a strong correlation between the strength of the hydrogen bonds located between or inside the polypeptide chains of the extended β-sheet and α-helix, respectively, and the absolute value of the absorption coefficient α(ω), the refractive index, and the dielectric constant. The lowest refractive index and dielectric constant are recorded in the 2-Gy-irradiated group followed by the 10-cGy–2 Gy-irradiated group while the least effect was recorded in the 10-cGy-irradiated group. These data provide evidence of the adaptive effect of the 10-cGy X-irradiation delivered 24 h prior to the 2-Gy x-irradiation.

Classification of wheat grain varieties using terahertz spectroscopy and convolutional neural network

Wheat quality and quantity differ in diverse climates. Therefore, it is essential to identify the variety before purchasing and warehousing. In this study, a study on variety discrimination for 12 wheat varieties (strong-gluten wheat, medium-gluten wheat, weak-gluten wheat) using the Terahertz time-domain spectroscopy (THz-TDS) technology in combination with a Convolutional neural network (CNN). Firstly, the original Time-domain spectra (TDS) of wheat in the range of 0.1–2.0 THz were acquired, and the Frequency domain spectra (FDS), the absorption coefficient spectra in the range of 0.2–1.0 THz were obtained through Fourier Transform. Then, Competitive adaptive reweighted sampling (CARS) algorithms were applied to screen the feature spectrum. Finally, the Support vector machine (SVM), the Least square support vector machine (LS-SVM), the Back-propagation neural networks (BPNN) and CNN models were constructed using feature spectral data. By comparing the four models, it was found that the calibration set accuracy and prediction set accuracy of the CNN model reached 98.7% and 97.8% respectively, with an error recognition rate of only 2.2%. The research results show that combining THz-TDS technology with CNN has the advantages of accurate recognition and high efficiency. It can identify different wheat varieties and can be used for seed classification and quality detection.

Optimized reconstruction of the absorption spectra of kidney tissues from the spectra of tissue components using the least squares method.

With the objective of developing new methods to acquire diagnostic information, the reconstruction of the broadband absorption coefficient spectra (μa [λ]) of healthy and chromophobe renal cell carcinoma kidney tissues was performed. By performing a weighted sum of the absorption spectra of proteins, DNA, oxygenated, and deoxygenated hemoglobin, lipids, water, melanin, and lipofuscin, it was possible to obtain a good match of the experimental μa (λ) of both kidney conditions. The weights used in those reconstructions were estimated using the least squares method, and assuming a total water content of 77% in both kidney tissues, it was possible to calculate the concentrations of the other tissue components. It has been shown that with the development of cancer, the concentrations of proteins, DNA, oxygenated hemoglobin, lipids, and lipofuscin increase, and the concentration of melanin decreases. Future studies based on minimally invasive spectral measurements will allow cancer diagnosis using the proposed approach.

RI−Calc: A user friendly software and web server for refractive index calculation

The refractive index of an optical medium is essential for studying a variety of physical phenomena. One useful method for determining the refractive index of scalar materials (i.e., materials which are characterized by a scalar dielectric function) is to employ the Kramers−Kronig (K−K) relations. The K−K method is particularly useful in cases where ellipsometric measurements are unavailable, a situation that frequently occurs in many laboratories. Although some packages can perform this calculation, they usually lack a graphical interface and are complex to implement and use. Those deficiencies inhibit their utilization by a plethora of researchers unfamiliar with programming languages. To address the aforementioned gap, we have developed the Refractive Index Calculator (RI−Calc) program that provides an intuitive and user−friendly interface. The RI−Calc program allows users to input the absorption coefficient spectrum and then easily calculate the complex refractive index and the complex relative permittivity of a broad range of thin films, including of molecules, polymers, blends, and perovskites. The program has been thoroughly tested, taking into account the Lorentz oscillator model and experimental data from a materials' refractive index database, demonstrating consistent outcomes. It is compatible with Windows, Unix, and macOS operating systems. You can download the RI−Calc binaries from our GitHub repository or conveniently access the program through our dedicated web server at nanocalc.org.

Origin Identification of Poria cocos Based on Terahertz Time-Domain Spectroscopic Techniques

Poria cocos is an important traditional Chinese medicinal material. The quality and efficacy of Poria cocos grown in different origin places are significantly different. The purpose of this study is to accurately identify the origin of Poria cocos using terahertz time-domain spectroscopy. The refractive index and the absorption coefficient spectra in the range of 0.4˜1.5 THz of Poria cocos samples from twelve provinces across China had similar change trends, with a little difference from the intensity. Combined with principal component analysis (PCA), the absorption coefficient spectrum was established to identify the origin of Poria cocos based on random forest (RF), radial basis function neural network (RBFNN) and convolutional neural network (CNN). The experimental results show that the RBFNN algorithm has the best identification effect among the 12 different origins of Poria, and the correct rate of the test set can be up to 98.2609%, which is higher than that of the RF algorithm (97.3913%) and the CNN algorithm (93.913%). Accurate identification of the origin of Poria cocos was realized with terahertz time-domain spectroscopy, providing a new idea and technical solution for the origin identification of Poria cocos.

Дисперсии оптических констант тонких пленок селенидов меди, полученных методом вакуумно-термического испарения

Thin films of Cu/Se system were obtained by vacuum-thermal evaporation of Se and Cu. The influence of the mass of Cu deposited on the phase and optical characteristics of the synthesized films after their thermal annealing was investigated at a fixed mass of Se deposited. Thin films containing trigonal selenium, various phases of copper selenides, and embedded Cu nanoparticles were obtained by varying the mass of Cu. Transmittance and reflectance spectra, as well as ellipsometric parameters characterizing amplitude and phase changes of reflected light, of the obtained films in a wide range of wavelengths, including UV, visible and near-IR ranges at various angles of light incidence on the film were measured using a spectroscopic ellipsometer SER 850. Using modeling , the dispersions of refractive index, extinction coefficient, absorption coefficient, as well as the spectra of real and imaginary parts of dielectric permittivity were found from the recorded spectra. The spectra of extinction coefficient and absorption coefficient have also been determined from the direct measurements of transmittance and reflectance spectra recorded with the ellipsometer. The findings obtained with the two methods are in good agreement. The presented results show that the synthesized films have unique optical properties suitable for photonics and optoelectronics applications.