Search results for: optical and electrical properties

Authors: K. C. Gayithri, S. K. Naveen Kumar

Abstract:

ZnO is one of the most important semiconductor materials, non toxic, biocompatible, antibacterial properties for research and it is used in many biomedical applications. MnxZn1-xO nano thin films were prepared by a spin coating sol-gel method on silicon substrate. The structural, optical, electrical properties of Mn Doped ZnO are studied by using X-rd, FESEM, UV-Visible spectrophotometer. The X-rd reveals that the sample shows hexagonal wurtzits structure. Surface morphology and thickness of the sample are characterized by field emission scanning electron microscopy. Absorption and transmission spectra are studied by UV-Visible spectrophotometer. The electrical properties are measured by TCR meter.

Keywords: transition metals, Mn doped ZnO, Sol-gel, x-ray diffraction

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Authors: B. Bouadjemi, S. Bentata, A. Abbad, W.Benstaali

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The full-potential linearized augmented plane wave method (FP-LAPW) within the Generalized Gradient Approximation (GGA) is used to calculate the magnetic and optical properties of quaternary GaFeMnN. The results show that the compound becomes magnetic and half metallic and there is an apparition of peaks at low frequencies for the optical properties.

Keywords: optical properties, DFT, Spintronic, wave

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Authors: Mohamed Achehboune, Mohammed Khenfouch, Issam Boukhoubza, Bakang Mothudi, Izeddine Zorkani, Anouar Jorio

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Zinc Oxide (ZnO) nanostructures have been attracting growing interest in recent years; their optical and electrical properties make them useful as attractive and promising materials for optoelectronic applications. In this study, pure and Hafnium doped ZnO nanostructures were synthesized using a green processing method. The structural, optical and electrical properties of samples were investigated structural and optical spectroscopies and electrical measurements. The synthesis and chemical composition of pure and Hafnium doped ZnO were confirmed by SEM observation. The XRD studies of Hafnium doped ZnO demonstrate the formation of wurtzite structure with preferred c-axis orientation. Moreover, the optical and electrical properties of doped material have improved after the doping process. The experimental results obtained for our material show that Hf doped ZnO nanostructures could be a promising material in optoelectronic applications such as photovoltaic cell and light emitting diode devices.

Keywords: green synthesis, hafnium-doped-zinc oxide, nanostructures, optoelectronic

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Authors: J. Pantoja Enríquez, G. P. Hernández, G. I. Duharte, X. Mathew, J. Moreira, P. J. Sebastian

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Cadmium sulfide films were deposited onto glass substrates by chemical bath deposition (CBD) from a bath containing cadmium acetate, ammonium acetate, thiourea, and ammonium hydroxide. The CdS thin films were annealed in air, argon, hydrogen and nitrogen for 1 h at various temperatures (300, 350, 400, 450 and 500 °C). The changes in optical and electrical properties of annealed treated CdS thin films were analyzed. The results showed that, the band-gap and resistivity depend on the post-deposition annealing atmosphere and temperatures. Thus, it was found that these properties of the films, were found to be affected by various processes with opposite effects, some beneficial and others unfavorable. The energy gap and resistivity for different annealing atmospheres was seen to oscillate by thermal annealing. Recrystallization, oxidation, surface passivation, sublimation and materials evaporation were found the main factors of the heat-treatment process responsible for this oscillating behavior. Annealing over 400 °C was seen to degrade the optical and electrical properties of the film.

Keywords: cds, thin films, annealing, optical, electrical properties

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Authors: Ali Ashjaran

Abstract:

Graphene is undoubtedly emerging as one of the most promising materials because of its unique combination of superb properties, which opens a way for its exploitation in a wide spectrum of applications ranging from electronics to optics, sensors, and biodevices. In addition, Graphene-based nanomaterials have many promising applications in energy-related areas. Graphene a single layer of carbon atoms, combines several exceptional properties, which makes it uniquely suited as a coating material: transparency, excellent mechanical stability, low chemical reactivity, Optical, impermeability to most gases, flexibility, and very high thermal and electrical conductivity. Graphene is a material that can be utilized in numerous disciplines including, but not limited to: bioengineering, composite materials, energy technology and nanotechnology, biological engineering, optical electronics, ultrafiltration, photovoltaic cells. This review aims to provide an overiew of graphene structure, properties and some applications.

Keywords: graphene, carbon, anti corrosion, optical and electrical properties, sensors

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Authors: P. C. Okafor, A. J. Ekpunobi

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Mn doped copper sulphide (CuS:Mn) nano-films were deposited on indiums coated tin oxide (ITO) glass substrates using electrodeposition method. Electrodeposition was carried out using bath of PH = 3 at room temperature. Other depositions parameters such as deposition time (DT) are kept constant while Mn doping was varied from 3% to 23%. Absorption spectra of CuS:Mn films was obtained by using JENWAY 6405 UV-VIS -spectrophotometer. Optical band gap (E_g ), optical conductivity (σo) and electrical conductivity (σe) of CuS:Mn films were determined using absorption spectra and appropriate formula. The effect of Mn doping % on these properties were investigated. Results show that film thickness (t) for the 13.27 nm to 18.49 nm; absorption coefficient (α) from 0.90 x 1011 to 1.50 x 1011 optical band gap from 2.29eV to 2.35 eV; optical conductivity from 1.70 x 1013 and electrical conductivity from 160 millions to 154 millions. Possible applications of such films for solar cells fabrication and optoelectronic devices applications were also discussed.

Keywords: copper sulphide (CuS), Manganese (Mn) doping, electrodeposition, optical band gap, optical conductivity, electrical conductivity

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Authors: H. A. Bentounes, A. Abbad, W. Benstaali

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Using first principles calculations based on the density functional theory and local spin density approximation, we investigate optical properties of GaFeMnN quaternary compound. Results show that optical properties confirm that GaFeMnN can be a good candidate in the design of thin film solar cells in the visible and ultraviolet parts of the spectrum, and a good sensor in the infrared

Keywords: GaN, optical absorption, semi-metallic, dielectric function

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Authors: A.Abbad, H.A.Bentounes, W.Benstaali

Abstract:

The full-potential linearized augmented plane wave method (FP-LAPW) within the Generalized Gradient Approximation (GGA) is used to calculate the magnetic and optical properties of quaternary GaFeMnN. The results show that the compound becomes magnetic and half metallic and there is an apparition of peaks at low frequencies for the optical properties.

Keywords: FP-LAPW, LSDA, magnetic moment, reflectivity

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Authors: Adam Abdalla Elbashir Adam, Xiaomin Cheng, Xiang Shui Miao

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In this work, the effect of the magnetron sputtering system parameters on the optical properties of the Mn doped GeTe were investigated. The optical properties of the Ge_1-xMn_xTe thin films with different thicknesses are determined by analyzing the transmittance and reflectance data. The energy band gaps of the amorphous Mn-doped GeTe thin films with different thicknesses were calculated. The obtained results demonstrated that the energy band gap values of the amorphous films are quite different and they are dependent on the films thicknesses. The extinction coefficients of amorphous Mn-doped GeTe thin films as function of wavelength for different thicknesses were measured. The results showed that the extinction coefficients of all films are varying inversely with their optical transmission. Moreover, the results emphasis that, not only the microstructure, electrical and magnetic properties of Mn doped GeTe thin films vary with the films thicknesses but also the optical properties differ with the film thickness.

Keywords: phase change magnetic materials, transmittance, absorbance, extinction coefficients

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Authors: Gulshan Mammadova

Abstract:

This paper presents the results of studying the surface microrelief in 2D and 3D models and analyzing the spectroscopy of a three-junction TlInSe₂ crystal. Analysis of the results obtained showed that with a change in the composition of the TlInSe₂ crystal, sharp changes occur in the microrelief of its surface. An X-ray optical diffraction analysis of the TlInSe₂ crystal was experimentally carried out. Based on ellipsometric data, optical functions were determined - the real and imaginary parts of the dielectric permittivity of crystals, the coefficients of optical absorption and reflection, the dependence of energy losses and electric field power on the effective density, the spectral dependences of the real (σᵣ) and imaginary (σᵢ) parts, optical electrical conductivity were experimentally studied. The fluorescence spectra of the ternary compound TlInSe₂ were isolated and analyzed when excited by light with a wavelength of 532 nm. X-ray studies of TlInSe₂ showed that this phase crystallizes into tetragonal systems. Ellipsometric measurements showed that the real (ε₁) and imaginary (ε₂) parts of the dielectric constant are components of the dielectric constant tensor of the uniaxial joints under consideration and do not depend on the angle. Analysis of the dependence of the real and imaginary parts of the refractive index of the TlInSe₂ crystal on photon energy showed that the nature of the change in the real and imaginary parts of the dielectric constant does not differ significantly. When analyzing the spectral dependences of the real (σr) and imaginary (σi) parts of the optical electrical conductivity, it was noticed that the real part of the optical electrical conductivity increases exponentially in the energy range 0.894-3.505 eV. In the energy range of 0.654-2.91 eV, the imaginary part of the optical electrical conductivity increases linearly, reaches a maximum value, and decreases at an energy of 2.91 eV. At 3.6 eV, an inversion of the imaginary part of the optical electrical conductivity of the TlInSe₂ compound is observed. From the graphs of the effective power density versus electric field energy losses, it is known that the effective power density increases significantly in the energy range of 0.805–3.52 eV. The fluorescence spectrum of the ternary compound TlInSe₂ upon excitation with light with a wavelength of 532 nm has been studied and it has been established that this phase has luminescent properties.

Keywords: optical properties, dielectric permittivity, real and imaginary dielectric permittivity, optical electrical conductivity

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Authors: V. Marzal, J. C. Torres, B. Garcia-Camara, Manuel Cano-Garcia, Xabier Quintana, I. Perez Garcilopez, J. M. Sanchez-Pena

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At the present time, the use of nanostructures in complex media, like liquid crystals, is widely extended to manipulate their properties, either electrical or optical. In addition, these media can also be used to control the optical properties of the nanoparticles, for instance when they are resonant. In this work, the change on electrical properties of a liquid crystal cell by adding TiO₂ nanoparticles on one of the alignment layers has been analyzed. These nanoparticles, with a diameter of 100 nm and spherical shape, were deposited in one of the substrates (ITO + polyimide) by spin-coating in order to produce a homogeneous layer. These substrates were checked using an optical microscope (objective x100) to avoid potential agglomerates. The liquid crystal cell is then fabricated, using one of these substrates and another without nanoparticles, and filled with E7. The study of the electrical response was done through impedance measurements in a long range of frequencies (3 Hz- 6 MHz) and at ambient temperature. Different nanoparticle concentrations were considered, as well as pure E7 and an empty cell for comparison purposes. Results about the effective dielectric permittivity and conductivity are presented along with models of equivalent electric circuits and its physical interpretation. As a summary, it has been observed the clear influence of the presence of the nanoparticles, strongly modifying the electric response of the device. In particular, a variation of both the effective permittivity and the conductivity of the device have been observed. This result requires a deep analysis of the effect of these nanoparticles on the trapping of free ions in the device, allowing a controlled manipulation and frequency tuning of the electrical response of these devices.

Keywords: alignment layer, electrical behavior, liquid crystal, TiO₂ nanoparticles

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Authors: A. Bouloufa, K. Djessas

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In this paper, we reported the effect of substrate temperature on the structural, electrical and optical properties of In2S3 thin films deposited on soda-lime glass substrates by physical vapor deposition technique at various substrate temperatures. The In2Se3 material used for deposition was synthesized from its constituent elements. It was found that all samples exhibit one phase which corresponds to β-In2S3 phase. Values of band gap energy of the films obtained at different substrate temperatures vary in the range of 2.38-2.80 eV and decrease with increasing substrate temperature.

Keywords: buffer layer, In2S3, optical properties, PVD, structural properties

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Authors: Musa Momoh, A. U. Moreh, A. M. Bayawa, Sanusi Abdullahi, I. Atiku

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In this study, thin films of ZnO were synthesized by two techniques namely RF sputtering and spray pyrolysis. The films were deposited on corning glass. The primary materials used are 99.99% pure. The optical and structural properties of the samples were studied. It has been noted that the samples deposited by Spray pyrolysis have and average transmittance, refractive index and extinction coefficient as 80-90%, 1.33-1.44 and 13.11-27.52 respectively. Those deposited by sputtering method are 34-80%, 1.51-1.52 and 3.15-3.28. The XRD patterns of the samples show that they are polycrystalline.

Keywords: zinc oxide, spray pyrolysis, rf sputtering, optical properties, electrical properties

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Authors: Rabah Bensaha, Badreeddine Toubal

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Un-doped TiO2, Co single doped TiO2 and (Cu-Co) co-doped TiO2 thin films have been growth on silicon substrates by the sol-gel dip coating technique. We mainly investigated both effects of the dopants and annealing temperature on the structural, optical and electrical properties of TiO2 films using X-ray diffraction (XRD), Raman and FTIR spectroscopy, Atomic force microscopy (AFM), Scanning electron microscopy (SEM), UV–Vis spectroscopy. The chemical compositions of Co-doped and (Cu-Co) co-doped TiO2 films were confirmed by XRD, Raman and FTIR studies. The average grain sizes of CoTiO3-TiO2 nanocomposites were increased with annealing temperature. AFM and SEM reveal a completely the various nanostructures of CoTiO3-TiO2 nanocomposites thin films. The films exhibit a high optical reflectance with a large band gap. The highest electrical conductivity was obtained for the (Cu-Co) co-doped TiO2 films. The polyhedral surface morphology might possibly improve the surface contact between particle sizes and then contribute to better electron mobility as well as conductivity. The obtained results suggest that the prepared TiO2 films can be used for optoelectronic applications.

Keywords: sol-gel, TiO2 thin films, CoTiO3-TiO2 nanocomposites films, Electrical conductivity

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Authors: F. Laatar, S. Ktifa, H. Ezzaouia

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Plasma Enhanced Chemical Vapor Deposition (PECVD) method is used to deposit hydrogenated nanocrystalline silicon films (nc-Si: H) on Porous Anodic Alumina Films (PAF) on glass substrate at different deposition duration. Influence of the deposition time on the physical properties of nc-Si: H grown on PAF was investigated through an extensive correlation between micro-structural and optical properties of these films. In this paper, we present an extensive study of the morphological, structural and optical properties of these films by Atomic Force Microscopy (AFM), X-Ray Diffraction (XRD) techniques and a UV-Vis-NIR spectrometer. It was found that the changes in DT can modify the films thickness, the surface roughness and eventually improve the optical properties of the composite. Optical properties (optical thicknesses, refractive indexes (n), absorption coefficients (α), extinction coefficients (k), and the values of the optical transitions EG) of this kind of samples were obtained using the data of the transmittance T and reflectance R spectra’s recorded by the UV–Vis–NIR spectrometer. We used Cauchy and Wemple–DiDomenico models for the analysis of the dispersion of the refractive index and the determination of the optical properties of these films.

Keywords: hydragenated nanocrystalline silicon, plasma processing chemical vapor deposition, X-ray diffraction, optical properties

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Authors: Yasaman Tabari-Saadi, Kaiwen Sun, Jialiang Huang, Martin Green, Xiaojing Hao

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Optical and electrical properties of p-type AgBiS₂ absorber material have been improved by copper doping on silver sites. X-Ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) analysis suggest that complete solid solutions of Ag₁₋ₓCuₓBiS₂ thin film have been formed. The carrier concentration of pure AgBiS₂ thin film deposited by the chemical process is 4.5*E+14 cm⁻³, and copper doping leads to the improved carrier concentration despite the semiconductor AgBiS₂ remains p-type semiconductor. Copper doping directly changed the absorption coefficient and increased the optical band gap (~1.5eV), which makes it a promising absorber for thin-film solar cell applications.

Keywords: copper doped, AgBiS₂, thin-film solar cell, carrier concentration, p-type semiconductor

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Authors: Rawan Aljabbari, Thamer Alomayri, Faisal G. Al-Maqate, Abeer Al Suwat

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For environmentally friendly innovative technologies and a sustainable future, fly ash/TiO₂ thin film nanocomposites are essential. Fly ash will be doped with titanium dioxide in this work in order to better understand its optical characteristics and employ it in semiconductor electrical devices. This study focused on the structure, morphology, and optical properties of fly ash/TiO₂ thin films. The spin-coating technique was used to create thin coatings of fly ash/TiO₂. For the first time, the doping of TiO₂ in the fly ash host at ratios of 1, 2, and 3 wt% was investigated with the thickness of all samples fixed. When compared to undoped thin films, the surface morphology of the doped thin films was improved. The weakly crystalline structure of the doped fly ash films was verified by XRD. The optical bandgap energy of these films was successfully reduced by the TiO₂ doping, going from 3.9 to 3.5 eV. With increasing dopant concentration, the value of Urbach energy is increasing. The optical band gap is clearly in opposition to the disorder. While it considerably improved the optical conductivity to a value of 4.1 x 10^9 s^(-1), it also raised the refractive index and extinction coefficient. Depending on the TiO₂ doping ratio, the transmittance decreased, and the reflection increased. As the TiO₂ concentration rises, the absorption of photon energy rises, and the absorption coefficient of photon energy is reduced. results in their possible use as solar energy and semiconductor materials.

Keywords: fly ash, structural analysis, optical properties, morphology

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Authors: S. Kassou, R. El Mrabet, A. Belaaraj, P. Guionneau, N. Hadi, T. Lamcharfi

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The organic–inorganic hybrid perovskite-like [C₆H₅C₂H₄NH₃]₂ZnCl₄ (PEA-ZnCl₄) was synthesized by saturated solutions method. X-ray powder diffraction, Raman spectroscopy, UV-visible transmittance, and capacitance meter measurements have been used to characterize the structure, the functional groups, the optical parameters, and the dielectric constants of the material. The material has a layered structure. The optical transmittance (T %) was recorded and applied to deduce the absorption coefficient (α) and optical band gap (Eg). The hybrid shows an insulator character with a direct band gap about 4.46 eV, and presents high dielectric constants up to a frequency of about 10⁵ Hz, which suggests a ferroelectric behavior. The reported optical and dielectric properties can help to understand the fundamental properties of perovskite materials and also to be used for optimizing or designing new devices.

Keywords: dielectric constants, optical band gap (eg), optical parameters, Raman spectroscopy, self-assembly organic inorganic hybrid

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Authors: Ankita Gaur, Mouli Karmakar, Shyam

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In this study, a silicon solar cell has been modeled and analyzed to enhance its electrical performance by improving the optical properties using an antireflecting coating (ARC). The dynamic optical reflectance, transmittance along with the net transmissivity absorptivity product of each layer are assessed as per the diurnal variation of the angle of incidence using MATLAB 2019. The model is tested with various Anti-Reflective coatings and the performance has also been compared with uncoated cells. ARC improves the optical transmittance of the photon. Higher transmittance of ⁓96.57% with lowest reflectance of ⁓ 1.74% at 12.00 hours was obtained with MgF₂ coated silicon cells. The electrical efficiency of the configured solar cell was evaluated for a composite climate of New Delhi, India, for all weather conditions. The annual electricity generation for Anti-reflective coated and uncoated crystalline silicon PV Module was observed to be 103.14 KWh and 99.51 KWh, respectively.

Keywords: antireflecting coating, electrical efficiency, reflectance, solar cell, transmittance

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Authors: Brahim Bahloul, Khatir Babesse, Azzedine Dkhira, Yacine Bahloul, Dalila Hammoutene

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In this paper, we investigate with ab initio calculations some structural and optoelectronic properties of Li₂S compound. The structural and electronic properties of the Li₂S antifluorite structure have been studied by first-principles calculations within the density functional theory (DFT), whereas the optical properties have been obtained using empirical relationships such as the modified Moss relation. Our calculated lattice parameters are in good agreement with the experimental data and other theoretical calculations. The electronic band structures and density of states were obtained. The anti-fluorite Li₂S present an indirect band gap of 3.388 eV at equilibrium. The top of the valence bands reflects the p electronic character for both structures. The calculated energy gaps and optical constants are in good agreement with experimental measurements.

Keywords: Ab initio calculations, antifluorite, electronic properties, optical properties

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Authors: Alok Tiwari, Ming Show Wong

Abstract:

Lanthanum (La) doped Barium Tin Oxide (BaSnO₃) film is an excellent alternative for expensive Transparent Conducting Oxides (TCOs) film such as Indium Tin Oxide (ITO). However single crystal film of La-doped BaSnO₃ has been reported with a good amount of conductivity and transparency but in order to improve its reachability, it is important to grow doped BaSO₃ films on an inexpensive substrate. La-doped BaSnO₃ thin films have been grown on quartz substrate by Radio Frequency (RF) sputtering at a different substrate temperature (from 200⁰C to 750⁰C). The thickness of the film measured was varying from 360nm to 380nm with varying substrate temperature. Structure, optical and electrical properties have been studied. The carrier concentration is seen to be decreasing as we enhance the substrate temperature while mobility found to be increased up to 9.3 cm²/V-S. At low substrate temperature resistivity found was lower (< 3x10⁻³ ohm-cm) while sudden enhancement was seen as substrate temperature raises and the trend continues further with increasing substrate temperature. Optical transmittance is getting better with higher substrate temperature from 70% at 200⁰C to > 80% at 750⁰C. Overall, understanding of changes in microstructure, electrical and optical properties of a thin film by varying substrate temperature has been reported successfully.

Keywords: conductivity, perovskite, mobility, TCO film

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Authors: S. Abdullahi, M. Momoh, K. U. Isah

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Zinc oxide (ZnO) thin films of 75.5 nm and 130.5 nm were deposited at room temperature onto chemically and ultrasonically cleaned corning glass substrate by radio frequency technique and annealed at 150°C under nitrogen atmosphere for 60 minutes. The optical properties of the films were ascertained by UV-VIS-NIR spectrophotometry. Influence of the thickness of the films on the optical properties was studied keeping other deposition parameters constant. The optical transmittance spectra reveal a maximum transmittance of 81.49% and 84.26% respectively. The band gap of the films is found to be direct allowed transition and decreases with the increase in thickness of the films. The band gap energy (Eg) is in the range of 3.28 eV to 3.31 eV, respectively. These thin films are suitable for solar cell applications.

Keywords: optical constants, RF sputtering, Urbach energy, zinc oxide thin film

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Authors: İsmail İnce

Abstract:

The aim of this study is to determine index and mechanical properties of pyroclastic rock in a practical way by means of electrical resistivity method. For this purpose, electrical resistivity, uniaxial compressive strength, point load strength, P-wave velocity, density and porosity values of 10 different pyroclastic rocks were measured in the laboratory. A simple regression analysis was made among the index-mechanical properties of the samples compatible with electrical resistivity values. A strong exponentially relation was found between index-mechanical properties and electrical resistivity values. The electrical resistivity method can be used to assess the engineering properties of the rock from which it is difficult to obtain regular shaped samples as a non-destructive method.

Keywords: electrical resistivity, index-mechanical properties, pyroclastic rocks, regression analysis

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Authors: Esubalew Yehualaw Melaku, Tizazu Abeza

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ZnSe thin films in an aqueous solution of zinc acetate and hydrazine hydrate (HH) using the non-toxic complexing agent EDTA along with the films were annealed at 200, 300, and 400oC. This research aimed to investigate the effect of annealing on the structural, optical, and electrical properties of the films. X-ray diffraction (XRD) analysis was used to study the structure and crystallite size of the ZnSe thin film. The ZnSe thin films are annealed in an oven at various temperatures which are characterized by structural and optical properties. An increase in annealing temperature distorted the nanocrystillinity and made the ZnSe thin films amorphous. The variation of resistivity indicates the semiconducting nature of the thin film. The electrical resistivity of the films decreases with increasing annealing temperature. In this study, the Band gap of ZnSe decreases from 2.8eV to 2.65eV with the increase in temperature and decreases for as-deposited to 2.5eV. As a result of this research, ZnSe is used for certain applications; it has been widely utilized in various optoelectronic devices such as thin film solar cells, green-blue light emitting diodes, lasers, photo-luminescent, and electro-luminescent devices.

Keywords: chemical bath deposition, ZnSe thin film, band gap, solar cells

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Authors: Prakash Chand, Anurag Gaur, Ashavani Kumar

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In the present study, we have synthesized Cr and Fe doped zinc oxide (ZnO) nano-structures (Zn1-δCraFebO; where δ= a + b=20%, a = 5, 6, 8 & 10% and b=15, 14, 12 & 10%) via sol-gel method at different doping concentrations. The synthesized samples were characterized for structural properties by X-ray diffractometer and field emission scanning electron microscope and the optical properties were carried out through photoluminescence and UV-visible spectroscopy. The particle size calculated through field emission scanning electron microscope varies from 41 to 96 nm for the samples synthesized at different doping concentrations. The optical band gaps calculated through UV-visible spectroscopy are found to be decreasing from 3.27 to 3.02 eV as the doping concentration of Cr increases and Fe decreases.

Keywords: nano-structures, optical properties, sol-gel method, zinc oxide

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Authors: B. Bahloul

Abstract:

This study investigates the structural, electronic, and optical properties of LiH and NaH compounds, as well as their ternary mixed crystals LiₓNa1-ₓH, adopting a face-centered cubic structure with space group Fm-3m (number 225). The structural and electronic characteristics are examined using density functional theory (DFT), while empirical methods, specifically the modified Moss relation, are employed for analyzing optical properties. The exchange-correlation potential is determined through the generalized gradient approximation (PBEsol-GGA) within the density functional theory (DFT) framework, utilizing the projected augmented wave pseudopotentials (PAW) approach. The Quantum Espresso code is employed for conducting these calculations. The calculated lattice parameters at equilibrium volume and the bulk modulus for x=0 and x=1 exhibit good agreement with existing literature data. Additionally, the LiₓNa1-ₓH alloys are identified as having a direct band gap.

Keywords: DFT, structural, electronic, optical properties

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Authors: Mihir Hota, Namita Jena, S. N. Sahu

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LEEH (L-cysteine ethyl ester hydrochloride) capped CdS semiconductor nanocrystals are grown at 800C using a simple chemical route. Photoluminescence (PL), Optical absorption (UV) and Transmission Electron Microscopy (TEM) have been carried out to evaluate the structural and optical properties of the nanocrystal. Optical absorption studies have been carried out to optimize the sample. XRD and TEM analysis shows that the nanocrystal belongs to FCC structure having average size of 3nm while a bandgap of 2.84eV is estimated from Photoluminescence analysis. The nanocrystal emits bluish light when excited with 355nm LASER.

Keywords: cadmium sulphide, nanostructures, luminescence, optical properties

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Authors: M. Momoh, S. Abdullahi, A. U. Moreh

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Zinc oxide (ZnO) thin films were prepared on corning (7059) glass substrates at a thickness of 75.5 and 130.5 nm by RF sputtering technique. The deposition was carried out at room temperature after which the samples were annealed in open air at 150°C. The electrical and structural properties of these films were studied. The electrical properties of the films were monitored by four-point probe method while the structural properties were studied by X-ray diffraction (XRD). It was found that the electrical resistance of the films decreases with increase in the thickness of the films. The XRD analysis of the films showed that the films have a peak located at 34.31°-34.35° with hkl (002). Other parameters calculated include the stress (σ) and the grain size (D).

Keywords: electrical properties, film thickness, structural properties, zinc oxide

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Authors: Meriem Harmel, Houari Khachai

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We have investigated the structural, electronic and optical properties of a compound perovskite CsSrF3 using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). In this approach, both the local density approximation (LDA) and the generalized gradient approximation (GGA) were used for exchange-correlation potential calculation. The ground state properties such as lattice parameter, bulk modulus and its pressure derivative were calculated and the results are compared whit experimental and theoretical data. Electronic and bonding properties are discussed from the calculations of band structure, density of states and electron charge density, where the fundamental energy gap is direct under ambient conditions. The contribution of the different bands was analyzed from the total and partial density of states curves. The optical properties (namely: the real and the imaginary parts of the dielectric function ε(ω), the refractive index n(ω) and the extinction coefficient k(ω)) were calculated for radiation up to 35.0 eV. This is the first quantitative theoretical prediction of the optical properties for the investigated compound and still awaits experimental confirmations.

Keywords: DFT, fluoroperovskite, electronic structure, optical properties

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Authors: Jaiprakash Dargad

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CdMnSe dilute semiconductor or semimagnetic semiconductors have become the focus of intense research due to their interesting combination of magnetic and semiconducting properties, and are employed in a variety of devices including solar cells, gas sensors etc. A series of thin films of this material, Cd1−xMnxSe (0 ≤ x ≤ 0.5), were therefore synthesized onto precleaned amorphous glass substrates using a solution growth technique. The sources of cadmium (Cd2+) and manganese (Mn2+) were aqueous solutions of cadmium sulphate and manganese sulphate, and selenium (Se2−) was extracted from a reflux of sodium selenosulphite. The different deposition parameters such as temperature, time of deposition, speed of mechanical churning, pH of the reaction mixture etc were optimized to yield good quality deposits. The as-grown samples were thin, relatively uniform, smooth and tightly adherent to the substrate support. The colour of the deposits changed from deep red-orange to yellowish-orange as the composition parameter, x, was varied from 0 to 0.5. The terminal layer thickness decreased with increasing value of, x. The optical energy gap decreased from 1.84 eV to 1.34 eV for the change of x from 0 to 0.5. The coefficient of optical absorption is of the order of 10-4 - 10-5 cm−1 and the type of transition (m = 0.5) is of the band-to-band direct type. The dc electrical conductivities were measured at room temperature and in the temperature range 300 K - 500 K. It was observed that the room temperature electrical conductivity increased with the composition parameter x up to 0.1, gradually decreasing thereafter. The thermo power measurements showed n-type conduction in these films.

Keywords: dilute semiconductor, reflux, CBD, thin film

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