IDRIS Bouchama

Chemini Meriem

Ab-initio study of perovskite materials using CASTEP

SALAMANI Maram safàa , BEDDIAR Abdrrahmen

Study of quantum well solar cells based on CuIn1-xGaxSe2 absorbers using SCAPS-1D simulator

Bouzidi Amina

Etude de l'influence des couches tampons pour les cellules solaires multi-jonctions

Merabet Moussa

Contribution to the study of Cu-III-VI2 Compounds

Rahal Abdelghani

Contribution a la maitrise des propriétés des couches minces d'oxyde métallique: analyse caracterisation et application

Labachi Tahar

Study of solar cells based on CuO and Cu 2 O absorbers using SCAPS 1D

salim ali saoucha

Study, fabrication and characterization of thin films for CZTS solar cells

Laboukhi mohamed lamine , Chanafi said

Contribution to the study of the structural, Electronic and optical properties of CuO and Cu2O materials by CASTEP

SALMI Dhayaa elheq , BELHOUT Kheir eddine, MOUSSAOUI Walid

Dispositif multi-capteurs pour réduire les risques domotiques

Rafik ZOUACHE

Theoretical and experimental study of defects for Cu(In,Ga)Se2 absorbers

The CuO/ITO thin films were fabricated through a two-step procedure that utilized Cu2O electrodeposition and a final annealing step. First, cuprous oxide (Cu2O) thin films have been successfully electrodeposited onto indium tin oxide (ITO) substrates. In the electrodeposition process, a solution of copper sulfate (CuSO4) at a concentration of 0.05 M and citric acid at 0.1 M was used, with the solution's pH adjusted to 12. Following this, the Cu2O films have been annealed at 500
C for 1 h in air, converting them to cupric oxide (CuO) thin films. By investigating the influence of increasing the deposition potential from 0.4 V to 0.7 V on the structural, morphological, chemical composition, electrical, and optical properties of CuO films, it was found that all films are of p-type semiconducting nature, having pure monoclinic CuO phase (without impurities), decreased crystallite size (from 21.11 to 14.85 nm), a chemical composition of only Cu and O elements, decreased surface roughness (from 139.41 to 44.53 nm), and increased optical band gap (from 1.56 to 1.82 eV). Moreover, the CuO film obtained at 0.7 V/ECS displayed the highest photocurrent response (0.25 mA cm2) with the highest stability.

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Idris BOUCHAMA , Asma Azzoug, Ouidad Baka, Samiha Laidoudi, Samah Boudour, Ouafia Belgherbi, Lilia Tabti, Imene Abid, Mohamed Redha Khelladi, , (2025-12-09), Fabrication of CuO thin films via Cu2O electrodeposition and subsequent annealing: a potential-dependent study, Journal of the Chinese Chemical Society, Vol:1, Issue:1, pages:1-13, Wiley

This research paper presents a comprehensive study of Cu2O-based heterojunction solar cells, focusing on the effects of bath temperature, absorber layer thickness, and defect density on cell efficiency. Cu2O thin films were electrochemically deposited at various bath temperatures (40–80 °C), and their structural and optical properties were investigated. Performance simulations using SCAPS software revealed that the optimal Cu2O layer thickness is 4 μm, yielding a conversion efficiency of 12.1 %. Under optimal conditions (bath temperature 60 °C and absorber thickness 4 μm), the device achieved a simulated efficiency of 12.6 %. Results demonstrated that moderate acceptor density (1017 cm−3) and low defect density (1014 cm−3) lead to significant improvements in cell efficiency. This study provides valuable insights for developing high-efficiency Cu2O/CdS/ZnO solar cells, emphasizing the importance of controlling deposition parameters and layer design for enhanced performance of copper oxide-based photovoltaics.

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Idris BOUCHAMA , MohamedAmine GHEBOULI , Abdelghani Rahal, Brahim Ghebouli, Fatmi Messaoud, Talal Mohamed Althagafi, Samah Boudour, , (2025-11-01), Experimental and simulation study of Cu2O-based heterojunction solar cells: Effects of bath temperature, layer thickness and defect density, Solid State Communications, Vol:405, Issue:1, pages:116135, Elsevier

In order to investigate the growth-induced defects, influence on Tin Sulphide (SnS) thin film properties, SnS thin films were synthesized via spray pyrolysis at two substrate temperatures 200 °C and 400 °C. The prepared films were characterized using X-ray diffraction, Raman spectroscopy, and UV–Vis spectroscopy. Additionally, the Space-Charge-Limited Current (SCLC) method was used to analyse the Au/SnS/Au sandwich structures. Current density–voltage (J-V) characteristics were measured and analysed to determine the density of states (DOS) near the Fermi level within the band gap of the prepared sandwich structures. The SCLC analysis revealed DOS values of 7.79 × 1015 cm−3 eV−1 and 2.1 × 1015 cm−3 eV−1, respectively, for the 200 °C and 400 °C samples. Defect positions were located at 32 meV and 24 meV above the Fermi level. Furthermore, carrier mobility and concentration were extracted from the SCLC data, and these results were subsequently compared with Hall Effect measurements.

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Idris BOUCHAMA , Meriem Messaoudi, Lynda Beddek, Samah Boudour, Samia Satta, Kenza Kamli, Hamza Khemliche, Walid Bedjaoui, Messaouda Khammar, Mohammed Salah Aida, Nadir Attaf, , (2025-09-30), Transport characteristics and defect densities in Au/SnS/Au sandwich structure using space‑charge‑limited current (SCLC) technique, Journal of Materials Science: Materials in Electronics, Vol:36, Issue:1, pages:1972, springer

Impure zinc-based materials, specifically ZnO, S-doped ZnO (SZO), and ZnS, were coated using the sol-gel spin coating technique and subsequently subjected to annealing at temperature of 500 °°C in an open furnace for 45 min. The solvent gels were prepared using zinc acetate dihydrate and thiourea as sources of zinc and sulphur elements. These gels were then deposited onto rotating glass substrates using a spin coater to make a homogeneous coat. The coated samples underwent a thorough analysis using a suite of characterization techniques, including X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), and UV–Visible spectroscopy. XRD investigation revealed that the samples exhibited good hexagonal crystallinity and crystal size clearly correlated with the amount of sulfur element in each coating. To illustrate, pure ZnO exhibited an average crystal size of 39.24 nm, while the ZnS exhibited a significantly low average of 27.86 nm. SEM imaging corroborated the significant impact of varying sulphur amount on the morphology of each coating. This morphological shift was further substantiated by AFM measurements, which demonstrated a dramatic decrease in surface roughness from 46.2 nm in the pure ZnO to 13.1 nm in SZO coating and further reduced to an exceptionally smooth of around 0.388 nm in ZnS coating. Spectral analysis of UV–visible absorption revealed an optical band gap of 3.11 eV for ZnO, 3.27 eV for SZO, and 3.80 eV for ZnS. 3D-AFM micrographs were analyzed using a series of morphology measurements and topographical metrics to analyze the evolution and changes in spin-coated ZnO, SZO, and ZnS as the weight percentage of Zn, O and S elements changed in each sample.

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Idris BOUCHAMA , Salim Ali Saoucha, Samah Boudour, Stefan Talu, Meriem Messaoudi, Ouafia Belgherbi, Leila Lamiri, Yazid Bouznit, Dakhouche Achour, , (2025-09-01), Structural, morphological, and optical characterization of ZnO, SZO, and ZnS coatings synthesized by sol-gel spin coating and annealing, Surfaces and Interfaces, Vol:72, Issue:1, pages:107438, Elsevier

The physical properties of materials can be precisely altered by doping them with a low concentration of foreign elements, a process that has a direct and significant impact on surface morphology and topography. This study investigated the effects of low sulphur (S) doping on zinc oxide (ZnO) microstructures. Pure ZnO and S-doped ZnO (ZnO:S2 and ZnO:S4, with 2 % and 4 % sulphur, respectively) were deposited on rotating glass substrates via the sol-gel spin-coating method. Subsequent analysis using complementary techniques revealed that as the S concentration increased from 0 % to 4 %, the ZnO microstructures changed from a globular to a rod-shaped morphology. This was accompanied by a concurrent increase in both particle size (confirmed by SEM) and crystallite size, from 39 to 55 nm (confirmed by XRD). All samples maintained a hexagonal zincite ZnO crystalline structure. Optical analysis showed a decrease in visible range transmittance and a slight reduction in the bandgap value (Eg) with increasing doping. AFM imaging revealed that at a low concentration (2 % S), the surface became smoother and was characterized by a valley-dominated topography. A further increase in S concentration to 4 % resulted in a rougher surface with a pit-rich topography, featuring higher peaks and deeper pits. These results were critically evaluated to determine suitable applications for the spin-coated samples.

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Idris BOUCHAMA , Samah Boudour, Stefan Țalu, Salim Ali Saoucha, Siham Aziez, Tayeb Bouarroudj, Walid Bedjaoui, Yazid Bouznit, Achour Dakhouche, Ouafia Belgherbi, Meriem Messaoudi, Leila Lamiri, Hamza Khemliche, , (2025-09-01), Crystalline structure, morphology, and topography analysis of spin-coated ZnO and ZnO:S microstructures, Physica B: Condensed Matter, Vol:1, Issue:716, pages:417708, Elsevier

This research aims to investigate the impact of doping the organic compound C16H10Br2O2 with various halogens (chlorine, fluorine, bromine, and iodine) on its structural, electronic, and optical properties. Modern computational simulation tools were employed to study the changes in molecular structure, charge distribution, and electron density upon the addition of each type of halogen. Additionally, the energy gap between molecular states was calculated, and the relative stability of the doped compounds was evaluated. The results revealed significant changes in the electronic and optical properties of the compound upon halogen doping. The type of halogen used was found to have a significant impact on these properties. The results indicate that some of the doped compounds possess promising properties for applications in optoelectronic devices, such as solar cells and organic light-emitting diodes.

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Idris BOUCHAMA , karim BOUFERRACHE , Bureau de la stratégie de numérisation , Faiza Benlakhdar, Fatmi Messaoudi, Mohamed Amine Ghebouli, S. Alomairy, A. Djemli, , (2025-07-18), STRUCTURAL, ELECTRONIC AND OPTICAL PROPERTIES OF HALOGEN-DOPED C16H10X2O2 (X = F, Cl, Br, I) COMPOUNDS FOR THE ORGANIC ELECTRONICS APPLICATIONS, Physics of Metals and Metallography, Vol:126, Issue:8, pages:888, springer

This study presents a comprehensive analysis of the performance of hybrid solar cells based on copper oxide (CuO) and copper indium gallium selenide (CIGS) using the Solar Cell Capacitance Simulator-1D (SCAPS-1D) simulation software. The effects of copper oxide absorber layer thickness, acceptor density in the copper oxide and copper indium gallium selenide layers, and defect density on solar cell performance parameters, including conversion efficiency, open-circuit voltage, short-circuit current density, and fill factor, were analyzed. Results showed that the copper oxide/copper indium gallium selenide hybrid structure achieves enhanced conversion efficiency compared to the single copper oxide structure, with optimal values determined for absorber layer thickness, acceptor density, and defect density. This study provides valuable insights for developing high-efficiency, low-cost hybrid solar cells using abundant and non-toxic materials.

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Idris BOUCHAMA , MohamedAmine GHEBOULI , abdelghani_rahal@univ-setif.dz, Ghebouli Brahim, Fatmi Messaoud, S. Alomairy, Boudour Samah, Benlakhdar Faiza, Chelouche Mohamed, , (2025-07-07), Optimization of structural and electronic properties in CuO/CIGS hybrid solar cells for highefficiency, sustainable energy conversion, RSC Advances, Vol:15, Issue:1, pages:23311, Royal society of chemistry

CuInSe2 (CIS) is a very promising material for thin film solar cells due to its unique optoelectronic properties. Sulfur (S) loading has been examined as an improvement to its performance. In this study, Density Functional Theory (DFT) calculations were used to evaluate the effect of S doping on the structural, electrical, and optical properties of CuIn (Se1-xSx)2. The results show that S doping causes significant changes in the band structure and defect formation energy. The results obtained provide important insights into the potential of S-doped CIS as a high efficiency material for the fabrication of optoelectronic and photovoltaic devices.

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Idris BOUCHAMA , NADIR Bouarissa , Merabet Moussa, Tayeb Chihi, Lamis Foudia, Faycal Saidi, , (2025-06-01), Ab Initio Study of the Effect of Sulphur Concentration on the Structural, Electronic and Optical Properties of CuIn(Se1-xSx)2 Compound using Generalized Gradient Approximation, Engineering, Technology & Applied Science Research, Vol:15, Issue:3, pages:24026-24034, ETASR

Mn-doped ZnO thin films with varying Mn concentrations were synthesized on glass substrates using the pneumatic spray technique. Energy-dispersive X-ray (EDX) analysis confirmed the substitution of Zn by Mn in the ZnO matrix. X-ray photoelectron spectroscopy (XPS) revealed characteristic spin-orbit energy states of Zn:2p and Mn:3d, indicating strong Mn-ZnO interactions. Microstructural analysis showed non-uniform extended lines and spherical grains, with decreasing grain size as Mn concentration increased. X-ray diffraction (XRD) confirmed a polycrystalline hexagonal structure, with experimentally determined lattice parameters a = 3.1453 Å, c = 5.1353 Å, in agreement with CASTEP calculations. Optical measurements indicated ~ 80% absorbance in the visible range, with a shift from blue to red as Mn content increased, suggesting bandgap modulation. These findings highlight the potential of Mn-doped ZnO films for tunable optoelectronic applications.

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Idris BOUCHAMA , MohamedAmine GHEBOULI , abdelghani_rahal@univ-setif.dz, Faisal Katib Alanazi, Ghebouli Brahim, Fatmi Messaoud, Chihi Tayeb, Talal Mohamed Althagafi, Khattab Khatir, , (2025-01-27), Experimental investigation of structural and optical properties of Mn-doped ZnO thin films deposited by pneumatic spray technique, Scientific Reports, Vol:1, Issue:15, pages:7086, Nature Portfolio

This paper examines the enhancement of CIGS solar cell efficiency through a comparison of four different buffer layer materials: CdS, CdxZn1-xS, ZnTe and ZnS. Additionally, a Zinc Oxide (ZnO) layer was incorporated as the transparent conductive oxide (TCO) top-layer. The investigation focused on varying buffer layer thickness from 10 nm to 100 nm to assess its impact on cell performance, with an emphasis on analyzing photovoltaic parameters using the SILVACO simulator. Our findings reveal that CdS exhibited superior performance at 100 nm thickness. As a result, the enhanced CIGS triple junction solar cell configured as Mo/p-CIGS /n-CdS/ZnO achieved a maximum power conversion efficiency (PCE) of 21.44%, an open-circuit voltage (VOC) of 0.89V, a short-circuit current density (JSC) of 27.70 mA/cm2, and a fill factor (FF) of 86.12%.

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Idris BOUCHAMA , zouache rafik, ,(2024-12-03), Impact of Layer Thickness Variations on the Efficiency of CIGS Triple Junction Solar Cells,rd International Conference on Recent Academic Studies ICRAS 2024,Konya -Turkey

In additive manufacturing in contrast to subtractive manufacturing the production of simple or complicated components requires simple tools, novel processes and control engineering. Before starting all these technologies, it is necessary to provide a starting digital model for direct implementing a production by adding material process. The generation of digital models of components requires various modelling and simulation processes including the structural optimization, which includes the size, shape and topology hierarchy. Making a component stiff for given loading requires more material, which increases the weight of this component. Confronting this conflict, the present research work conducts and discusses a simulation study using Matlab tool for doing structural optimization of a surface inspired from a real product in order to perform the optimum between the weight and material amount. The written code has only applied to 2D case of the free-ends targeted surface without loads. This target surface is a round geometry with perforated interior derived from a physical phenomenon consisting of a round key holder. As expected, the ability to diminish the permissible surface area to 13~15% in a predefined (100%) space domain allows for reducing the material amount used and thus the weight of the target may be starkly reduce.

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Idris BOUCHAMA , samah boudour, Hamza khemlish, Meriem messaoudi, Ouafia Belgharbi, Leila lamiri, ,(2024-11-16), Shape Optimization of Degital Model Using Matlab Tool,1st International seminar on Mechatronics Innovation, Renwables Energy and Artificial Intelligence,Tipaza Algeria

This paper studies a novel surface plasmon resonance (SPR) biosensor using a BK7 glass prism, a copper (Cu) metal plasmonic layer, which combine a halide perovskite (FASnI3) with two-dimensional (2D) materials such as phosphorus black, graphene and TMDC (MoS2, MoSe2, WS2, WSe2) for the detection of breast cancer cells. We have optimized the thickness of each layer in order to obtain maximum sensitivity. A numerical study mainly uses the transfer matrix principle, while the attenuation total reflection method involves examining the reflection properties. The evaluation of SPR biosensor configurations serves to obtain optimal performance. The simulation results indicate that the integration of halide perovskite (FASnI3) and 2D materials into the BK7/Cu/medium sensing structure significantly improves the sensitivity and figure of merit (ZT). The outstanding results in terms of sensor performance characteristics are observed in the BK7/Cu (48 nm)/FASnI3 (5 nm)/BP (0.53 nm) configuration. The figure of merit and sensitivity estimated at 123.11 RIU 1 and 459.28◦/RIU, with a notable improvement of 338.45 %

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Idris BOUCHAMA , H. Bouandas, Y. Slimani, A. Bakhouche, N. Bioud, A. Djemli, Faisal Katib Alanazi, M.A. Ghebouli, Chihi Tayeb, , (2024-10-24), Ultra-sensitivity of surface plasmon resonance sensor using halide perovskite FASnI3 and 2D materials on Cu thin films, Results in physics, Vol:66, Issue:1, pages:108004, Elsevier

The present paper reports electrochemical elaboration of zinc oxide microstructure doped with cobalt (CZO) at various [Co2+]/[Zn2+] (Co/Zn) concentration ratios onto ITO substrates at a pH of 6.5. All Mott-Schottky plots of electrochemical analysis showed that all electrodeposited CZO samples exhibited n-type semiconducting be- haviours. XRD spectra revealed that all electrodeposited CZO samples crystallized in the typical hexagonal wurtzite structure with a preferential orientation along the (100) plane with descending crystalline size versus increasing cobalt dopants amount. Reviewing SEM images, notable changes were found on granular morphol- ogies of CZO samples because of doping changing. EDX showed proportionality between the increase of final Co/ Zn ratio in the CZO samples and the increase of starting Co/Zn concentration ratio within the initial depositing solutions. UV–Vis measurements indicated that transmittances of most CZO samples were above 80 % in the visible range and their optical band gaps were high and limited between 3.60 and 3.64 eV

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Idris BOUCHAMA , , (2024-07-05), Investigation of zinc oxide doped microstructures with cobalt via electrochemical deposition, Physica B: Condensed Matter, Vol:690, Issue:1, pages:416275, Elsevier

Abstract—This paper examines the enhancement of CdTe solar cell efficiency through a comparison of four different buffer layer materials: CdS, CdxZn1-xS, ZnTe and ZnS. Additionally, a Zinc Oxide (ZnO) layer was incorporated as the transparent conductive oxide (TCO) top-layer. The investigation focused on varying buffer layer thickness from 10 nm to 100 nm to assess its impact on cell performance, with an emphasis on analyzing photovoltaic parameters using the SCAPS-1D simulator. Our findings reveal that CdS exhibited superior performance at 100 nm thickness. As a result, the enhanced CdTe solar cell configured as Mo/p-CdTe/n- CdS/ZnO achieved a maximum power conversion efficiency (PCE) of 21.44%, an open-circuit voltage (VOC) of 0.89V, a short-circuit current density (JSC) of 27.70 mA/cm2, and a fill factor (FF) of 86.12%.

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Idris BOUCHAMA , Merabet serra, Bendenia Chahrazed, Bendenia Souhila, Dib Hanae, Moulbhar Samia, Khantar Sid ahmed, ,(2024-05-12), mpact of Various Buffer Layers on CdTe Solar Cells Performance Using SCAPS-1D Simulator,IEEE 2nd International Conference en Electrical Engineering and Automatic Control ICEEAC 2024,SETIF Algeria

The simulations have been carried out to study and investigate the performance of the photo- voltaic J-V characteristics of triple-junction solar cells based on Cu(In,Ga)Se2 absorbers using 2D Silvaco/Atlas simulator. The triple-junction configuration was considered as a single layer of CGS on top while the CIGS single layer was separated for middle and bottom cells. The investigations for CIGS solar cell presented in this article are in close agreement with the already observed numerical and experimental data. The photovoltaic J-V characteristics for the proposed CGS/ CIGS triple-junction solar cell, such as the short-circuit current density, open-circuit voltage, fill factor and power conversion efficiency have been investigated and observed to be 13.49 mA/ cm2, 2.64 V, 86.56% and 30.85%, respectively. The proposed configuration offers improved conversion efficiency up to 33.27% at current matching point. The entire inquiry on CIGS solar cells yields a prospective idea for single and triple-junction solar cells with high efficiency.

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Idris BOUCHAMA , , (2024-02-28), CGS/CIGS single and triple-junction thin film solar cell: Optimization of CGS/CIGS solar cell at current matching point, Micro and Nanostructures, Vol:189, Issue:1, pages:207812, Elsevier

This study demonstrates the utility of SILVACO/Atlas in modeling CIGS solar cells to optimize design and fabrication parameters, such as layer thicknesses, doping concentrations, and material defects. By analyzing different designs and configurations, we can identify the most efficient and cost-effective solar cell structures. Our calculations specifically focused on three heterojunction solar cell structures (substrate, tandem and triple-junction), and we used 2D SILVACO/Atlas simulator to analyze their performance under various conditions. By varying factors such as thicknesses, carrier concentration, defect density and operating temperature, we were able to extract photovoltaic parameters and investigate the impact on the overall performance of the cells. The use of SILVACO/Atlas in our research highlights its powerful role in the development of high-performance solar energy technologies.

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Idris BOUCHAMA , Rafik Zouache, Saidani Okba, Elyazid Zaidi, Abderahim Yousfi, Zitouni Messai, ,(2023-11-22), Enhancing Efficiency In CIGS solar cell through numerical analysis by inserted uc-Si:H BSF layer,1st edition of International conference on Electrics Engineering and Telecommunications (2ETA-2023),Bordj Bou-Arreridj University

Structural, elastic, mechanical and electronic properties of pure and zinc-doped SrTiO3 at the concentration in the range (1–10%) are studied by ¯rst-principles calculations. The structural parameters of synthesized compounds agree well with the standard data depicting the growth of stable compounds. A slight obvious increase in the lattice constant of 3.9245 Å is observed in Zndoped SrTiO3 due to the deviation of the atomic radii of Zn and Ti. Elastic constants and mechanical parameters of SrTiO3 are closer to their available theoretical and experimental data. The investigated compounds exhibit brittle behavior for all Zn ratios. The doping zinc concentration reduces the indirect band gap value. The doping concentration 2%, gives a band gap value closer to the experimental one. The band gap of pure SrTiO3 is 1.827 eV and after doping with Zn for concentration from 1% to 10%, the optimized values are 1.970, 1.886, 1.802, 1.718, 1.635, 1.552, 1.470, 1.389, 1.310, 1.231 and 1.154 eV.

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Idris BOUCHAMA , faiza BENLAKHDAR, Mohamed amine Ghebouli, zohra zerrogui, karim Boufrach, Brahim Ghebouli, Tayeb Chihi, Soltan alomairi, , (2023-11-08), Structural, elastic, mechanical and optoelectronic properties of zinc-doped SrTiO3 perovskite compounds, Modern Physics Letters B, Vol:38, Issue:1, pages:2350200, World Scientific

Zinc monochalcogenides, specifically ZnS serve as exemplary representatives of II-VI semiconductors and have the ability to adopt either zinc-blende (ZnX-z) or wurtzite (ZnX-w) crystal structures. Notably, ZnX-z phases exhibit optical isotropy, while ZnX-w phases display anisotropy, with the c-axis serving as the polar axis. ZnS featuring a wide direct band gap of approximately 3.37 eV at room temperature, emerges as a quintessential semiconductor employed extensively in optoelectronic applications. Furthermore, ZnS exhibits transparency within the visible light spectrum and possesses the added advantage of environmental friendliness, attributed to the abundant presence of zinc in the Earth's crust. Among the family of IIB-VIA compounds, namely ZnS, this material crystallizes in the cubic zinc-blende structure under ambient pressure, boasting direct energy band gaps. Notably, these wide band-gap semiconductors are of paramount interest due to their capability to emit light even at room temperature. Utilizing computational tools such as CASTEP offers a robust means for designing and enhancing these materials, facilitating the development of advanced optoelectronic devices. In this study, we delved into the electronic structure and optical characteristics of ZnS systems, employing first principles through the ultra-smooth pseudopotential approach of density functional theory and the generalized gradient approximation method implemented with CASTEP. Our investigation yielded the following findings: The network parameters exhibited varying values, making it feasible to deposit these materials on different substrates. The binary alloy holds particular interest due to its wide bandgap 2.698 eV for ZnS. The results obtained for the structural, physical, and optical properties closely align with existing theoretical and experimental data, affirming the accuracy of our calculation methodology. The properties of pure ZnS materials suggest significant potential for use in solar cells.

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Idris BOUCHAMA , benlakhdar faiza, Tayeb chihi, Mohamed Amine Ghebouli, Ibrahim Ghebouli, ,(2023-10-10), Comprehensive investigation of ZnS: Structural properties, Elastic constants and their crucial role in environmental protection and clean energy production,The second International conference of nanotechnology for environmental protection and clean energy production ICNEP-2023,Freres Mentouri University - Constantine I

Zinc monochalcogenides, specifically ZnS serve as exemplary representatives of II-VI semiconductors and have the ability to adopt either zinc-blende (ZnX-z) or wurtzite (ZnX-w) crystal structures. Notably, ZnX-z phases exhibit optical isotropy, while ZnX-w phases display anisotropy, with the c-axis serving as the polar axis. ZnS featuring a wide direct band gap of approximately 3.37 eV at room temperature, emerges as a quintessential semiconductor employed extensively in optoelectronic applications. Furthermore, ZnS exhibits transparency within the visible light spectrum and possesses the added advantage of environmental friendliness, attributed to the abundant presence of zinc in the Earth's crust. Among the family of IIB-VIA compounds, namely ZnS, this material crystallizes in the cubic zinc-blende structure under ambient pressure, boasting direct energy band gaps. Notably, these wide band-gap semiconductors are of paramount interest due to their capability to emit light even at room temperature. Utilizing computational tools such as CASTEP offers a robust means for designing and enhancing these materials, facilitating the development of advanced optoelectronic devices. In this study, we delved into the electronic structure and optical characteristics of ZnS systems, employing first principles through the ultra-smooth pseudopotential approach of density functional theory and the generalized gradient approximation method implemented with CASTEP. Our investigation yielded the following findings: The network parameters exhibited varying values, making it feasible to deposit these materials on different substrates. The binary alloy holds particular interest due to its wide bandgap 2.698 eV for ZnS. The results obtained for the structural, physical, and optical properties closely align with existing theoretical and experimental data, affirming the accuracy of our calculation methodology. The properties of pure ZnS materials suggest significant potential for use in solar cells.

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Idris BOUCHAMA , benlakhdar faiza, Tayeb chihi, Mohamed Amine Ghebouli, Ibrahim Ghebouli, ,(2023-10-10), Comprehensive investigation of ZnS: Structural properties, Elastic constants and their crucial role in environmental protection and clean energy production,The second International conference of nanotechnology for environmental protection and clean energy production ICNEP-2023,Freres Mentouri University - Constantine I

This study used the DFT method to investigate the structure, electronic and optoelectronic properties of ZnS1-xOx system. The anisotropic optical parameters, the band gap range from 2.5 eV to 3.6 eV and absorption of extreme ultraviolet light make ZnS1-xOx alloy as windows, lenses and absorber material. The refractive index is more important when photons move through the material and when bonds between atoms are covalent. The static refractive index decreases from 2.1 to 1.5 when the oxygen content x passes from 0 to 1. The in-plane and out-of-plane extinction coefficient start at energy identical of that corresponding to the direct band gap value of ZnS1-xOx alloy. ZnS1-xOx absorb ultraviolet light in the range 4 eV to 10 eV and the band gap validate its candidature for optical and photovoltaic devices. The similar profile of Zn d and O p throughout the whole energy region indicates the presence of hybridization between their electrons and a covalent bonding between them. The absorption coefficient of ZnS1-xOx system is in the range of 105 cm-1, which is a characteristic property of a good absorber material.

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Idris BOUCHAMA , benlakhdar faiza, ,(2023-09-26), Comprehensive Investigation of Structural and Electronic Properties of Sulfur-Doped Zinc Oxide using CASTEP Program,3rd International Conference on Innovative Academic Studies,Konya/Turkey

This work presents a comprehensive study on the effects of Galium doping in the CuInS2 compound highlights substantial improvements in its structural, mechanical, electronic, and optical properties. The observed increases in the elastic constants (B, G, and Y) indicate enhanced mechanical strength and stability, making the doped material more resilient. Additionally, the augmentation in the energy gap and absorbance demonstrates a favorable modification in the electronic band structure, leading to higher light absorption capabilities. Moreover, the rise in the dielectric constant signifies enhanced electrical response and polarization behavior, offering potential advantages in electronic applications. The overall findings of this study indicate that aluminum doping is a promising strategy to tailor and optimize the properties of CIGS, making it an attractive candidate for a wide range of advanced technological devices and applications.

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Idris BOUCHAMA , Benlakhdar faiza, Tayab Chihi, Brahim ghebouli, zohra zerrougui, ,(2023-07-10), Advancing the Properties of CuInX-1GaXS2 Compounds using the CASTEP Program: A Computational Exploration of Structural, Electronic, and Optical Characteristics,5th International Conference on Applied Engineering and Natural Sciences,Konya/Turkey

The purpose of this research is to investigate the structural, electronic, and optical properties of ZnX compounds, particularly those with X = Te, S, and O, which have direct bandgaps that make them optically active. To gain a better understanding of these compounds and their related properties, we conducted detailed calculations using density functional theory (DFT) and the CASTEP program, which uses the generalized gradient approximation (GGA) to estimate the cross-correlation function. Our results for lattice modulus, energy bandgap, and optical parameters are consistent with both experimental data and theoretical predictions. The energy bandgap for all compounds is relatively large due to an increase in s-states in the valence band. Our findings suggest that the optical transition between (O - S - Te) - p states in the highest valence band and (Zn - S - O) - s states in the lowest conduction band is shifted to the lower energy band. Therefore, ZnX compounds (X = Te, S and O) are a promising option for optoelectronic device applications, such as solar cell materials.

Citation

Idris BOUCHAMA , Faiza Benlakhdar, Tayeb chihi, Brahim ghebouli, mohamed amine ghebouli, zohra zerroughi, khettab khatir, mohamed alam said, , (2023-07-06), AB-INITIO STUDY OF STRUCTURAL, ELECTRONIC AND OPTICAL PROPERTIES OF ZnX (X = Te, S and O): APPLICATION TO PHOTOVOLTAIC SOLAR CELLS†, EAST EUROPEAN JOURNAL OF PHYSICS, Vol:3, Issue:1, pages:413, EAST EUROPEAN JOURNAL OF PHYSICS

This study focuses on investigating how changes in temperature afect the sensitivities of an optical sensor that uses a SiO2:TiO2 planar waveguide, with particular emphasis on the fundamental modes sensitivities. The results showed that, by accurately determining the appropriate core thickness for each set of physical parameters of the waveguide, we not only increased the sensitivity, but also extended its stabilization range with respect to the temperature. The best results, in terms of values and stabilities of the sensitivities were obtained for a high refractive index of the core and selecting a measurand refractive index closest to that of substrate. As regards the geometrical parameters, the most favorable results can be attained for the core thicknesses located between the thickness corresponding to the maximum sensitivity at room temperature and the cut-of thickness of the TM0 mode, the sensitivity remain relatively stable at the vicinity of 0.41. However, for the monomode structure, the best results can be achieved for the core thicknesses situated between the thickness corresponding to the maximum sensitivity at room temperature and twice the cut-of thickness of the TE0 single mode, the average sensitivity is relatively constant at around 0.35.

Citation

Idris BOUCHAMA , · Salim Benaissa, · Abdelhalim Bencheikh, Abdelbaki Cherouana, , (2023-02-21), Optimization of waveguide parameters for minimization of the sensitivity temperature dependence for the SiO2:TiO2 planar waveguide optical sensor, Optical and Quantum Electronics, Vol:55, Issue:1, pages:1031, Springer