PRESSURE EFFECTS ON THE STRUCTURAL, MECHANICAL AND OPTO-ELECTRONIC PROPERTIES OF POTASSIUM-BASED ANTIPEROVSKITES K3XO (X = CL, Br, I) FROM FIRST-PRINCIPLES INVESTIGATION H. Kerbiche, A. Chadli, A. Cheriet Archives of Metallurgy and Materials, 2026 Herein, using first-principle calculations and full potential linearized augmented plane wave, the structural, mechanical, and opto-electronic properties of K3XO (X = Cl, Br, and I) anti-perovskite oxides have been studied under different pressures. The structures optimization shows cell parameters very close to the available experimental and theoretical values. The mechanical stability criteria is checked by computed the elastic constants C11, C12 and C44 using the optimized data. Our results also demonstrate the ductility of the all compounds under study and their usefulness in medium-temperature devices, as they have a relatively high Debye temperature. Furthermore, the calculated band structure revealed a direct band gap for the three antiperovskites, the energy band gap values are about 4.21, 3.55 and 3.16 eV for K3ClO, K3BrO and K3IO, respectively, these values of Eg increase linearly as a function of pressure. We investigate also the optical properties of these compounds under various pressures, such as the dielectric function, absorption coefficient, energy loss function, reflectivity and refractive index, within the photon energy interval 0-25 eV, hence all the studied antiperovskites exhibit excellent optical properties, including low reflectivity and high absorption in the ultraviolet region which is good for photovoltaic applications.
Photoelectrochemical, Structural, and Optical Investigations of Silver-Doped Cupric Oxide Films Fabricated via Electrodeposition Halima Bensenouci, Ahlam Belgroune, Abderrahmane Cheriet, Linda Aissani, Ahmed Hamdi, et al. Ecs Journal of Solid State Science and Technology, 2025 In this work, we report for the first-time the impact of silver doping on the structural, electrical, and optical properties of CuO thin films synthesized through a low-energy electrodeposition method. Both pure and Ag-doped CuO films were characterized using X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray spectroscopy, UV–visible spectroscopy, and electrochemical impedance spectroscopy (EIS). The photocurrent response was examined in a photo-electrochemical cell. FE-SEM revealed a significant morphology shift from rod-like grains to compact globular structures upon Ag doping. XRD confirmed a monoclinic phase, with preferred orientations along (002) and (111) planes. The intensity ratio I(111)/I(002) decreased from 1.169 for pure CuO to 1.060 with 2% Ag doping, then increased to 1.289 for 5% Ag, indicating changes in growth orientation. The crystallite size decreased from 29.8 nm (pure) to 27.8 nm with 2%Ag doping. A band gap narrowing was observed of from 2.25 eV (undoped) to 1.62 eV at 5%Ag. EIS shows a decrease in charge transfer resistance R ct from 49.86 Ω to 30.77 Ω, confirming enhanced conductivity and photo-response. These results demonstrate that Ag doping via low-energy electrodeposition effectively tunes the properties of CuO thin films, offering a novel and promising route for optoelectronic applications.
New Insight into Mechanical Stability, Electronic and Elastic Properties of Paraelectric h-YMnO3 from First-Principles Calculations I. Chadli, A. Chadli, A. Cheriet, B. Lagoun Archives of Metallurgy and Materials, 2025 In this work, we represent for the first time a study on h-YMnO3 oxide in the para-electric phase using ab initio calculations, including equation of state, mechanical stability, electronic, magnetic and elastic properties. This theoretical study has been conducted using the full potential-linearized augmented plane wave method (FP-LAPW) within the framework of density functional theory (DFT). We also used the Tran-Blaha modified Becke-Johnson (TB-mBJ) for band structure calculations, as implemented in the wien2k code. Our calculations including internal atomic relaxations are in very good agreement with the available experimental data. Spin-polarized electronic band structure exhibits semiconductor behavior with a low band gap observed equal to 0.4 eV. The calculated elastic constants Cij confirm the mechanical stability of our oxide. The estimated anisotropy factors show that h-YMnO3 has a strong anisotropic character. To our knowledge, this is the first theoretical study on h-YMnO3 oxide in paraelectric phase, which still awaits experimental confirmations.
Investigation of the physical and superconductivity properties of Au2ScX full Heusler alloys: First-principles calculations H Abdi, A Cheriet, I Koriba, R Benmiloud, B Aissous, S Khenchoul, ... Physica B: Condensed Matter, 418573 , 2026 2026
Pressure Effects on the Structural, Mechanical and Opto-Electronic Properties of Potassium-Based Antiperovskites K3XO (X= Cl, Br, I) from First-Principles Investigation H Kerbiche, A Chadli, A Cheriet Archives of Metallurgy and Materials, 157-172-157-172 , 2026 2026
Photoelectrochemical, Structural, and Optical Investigations of Silver-Doped Cupric Oxide Films Fabricated via Electrodeposition H Bensenouci, A Belgroune, A Cheriet, L Aissani, A Hamdi, M Ferhat, ... ECS Journal of Solid State Science and Technology 14 (9), 093002 , 2025 2025 Citations: 1
Correction: Theoretical Study of the Structural, Magnetic, Electronic and Elastic Properties of VSb-Based Half-Heusler Alloys F Sofrani, K Boudia, A Cheriet, A Alhussein, L Aissani Journal of Electronic Materials 54 (4), 3319-3319 , 2025 2025
Structural, Electronic and Zinc Doping Effect on the Catalytic and Optical Properties of Lanthanum Orthochromite Perovskite: Experimental and Theoretical Study A Chadli, I Chadli, A Hammoudeh, A Cheriet, G Manca Kinetics and Catalysis 66 (1), 54-64 , 2025 2025 Citations: 1
New Insight into Mechanical Stability, Electronic and Elastic Properties of Paraelectric h-YMnO3 from First-Principles Calculations I Chadli, A Chadli, A Cheriet, B Lagoun Archives of Metallurgy and Materials, 1383–1390-1383–1390 , 2025 2025
Computational characterization of structural, electronic, elastic and magnetic properties of double half-Heusler alloy Fe2MnCoGe2 A Cheriet, K Boudia, R Hamdi, F Sofrani, F Khelfaoui Studies in Engineering and Exact Sciences 5 (2), e11737-e11737 , 2024 2024 Citations: 1
Failure prediction of laminated composites: simulation of the nonlinear behavior and progressive damage A Bensalem, A Daoui, A Cheriet, S Lecheb, A Chellil, H Kebir, L Aissani Fibers and Polymers 24 (11), 4005-4012 , 2023 2023 Citations: 2
Theoretical Study of the Structural, Magnetic, Electronic and Elastic Properties of VSb-Based Half-Heusler Alloys: F. Sofrani et al. F Sofrani, K Boudia, A Cheriet, A Alhussein, L Aissani Journal of Electronic Materials 52 (8), 5727-5737 , 2023 2023 Citations: 3
Influence of Fe concentration on the properties of the electrodeposited Zn–Fe coatings FZ Hamdi, A Hamdi, S Khenchoul, A Rahmani, A Cheriet, L Aissani, ... Journal of the Indian Chemical Society 99 (6), 100498 , 2022 2022 Citations: 2
Theoretical investigation of structural, electronic and mechanical properties of the hard LaB4 material R Hamdi, B Lagoun, HA Benhorma, S Khenchoul, B Fekieur, A Cheriet, ... Computational Condensed Matter 31, e00664 , 2022 2022
Phase stability, mechanical and optoelectronic properties of lanthanum chromite-based perovskite oxide I Koriba, B Lagoun, A Cheriet, A Guibadj, S Belhadj, A Ameur, L Aissani, ... Applied Physics A 128 (1), 82 , 2022 2022 Citations: 13
Microstructure and mechanical properties of sputtering Zr-N coatings L AISSANI, N BELGHAR, A CHERIET, M ZAABAT International Conference on Mechanics and Energy , 2021 2021
Experimental investigation of structural, wetting, mechanical and Tribological properties of TiZrN thin films deposited by magnetron sputtering F Salhi, L Aissani, M Fellah, A Chadli, A Cheriet, A Belgroune, C Nouveau, ... Surfaces and Interfaces 27, 101519 , 2021 2021 Citations: 34
Structural, electronic, magnetic and mechanical properties of three LaMnO3 phases: Theoretical investigations I Koriba, B Lagoun, A Guibadj, S Belhadj, A Ameur, A Cheriet Computational Condensed Matter 29, e00592 , 2021 2021 Citations: 42
Improvement Of Efficiency of Salt Gradient Solar Pond Using Metallic Oxide (Al2O3) Nanoparticles CA Amel Labed, Zermane Samah The First International Conference on Renewable Energy Advanced Technologies … , 2021 2021
Investigating the effect of nitrogen on the structural and tribo-mechanical behavior of vanadium nitride thin films deposited using RF magnetron sputtering L Aissani, M Fellah, AH Chadli, MA Samad, A Cheriet, F Salhi, C Nouveau, ... Journal of Materials Science 56 (30), 17319-17336 , 2021 2021 Citations: 58
First-principles calculations to investigate structural, magnetic, electronic and elastic properties of full-Heusler alloys Co2MB (M=V, Mn) A Cheriet, S Khenchoul, L Aissani, B Lagoun, M Zaabat, A Alhusseine Solid State Communications 337 , 2021 2021 Citations: 6
Étude théorique basées le premier principe des nouveaux matériaux pérovskites ABX3 A CHERIET Université de Laghouat-Amar Telidji , 2021 2021
Structural and Anisotropic Elastic Properties of Hexagonal YMnO 3 in Low Symmetry Determined by First-Principles Calculations A Chadli, M Halit, B Lagoun, F Mohamedi, S Maabed, A Cheriet, E Hlil, ... Solid State Phenomena 297, 120-130 , 2019 2019 Citations: 11
MOST CITED SCHOLAR PUBLICATIONS
Investigating the effect of nitrogen on the structural and tribo-mechanical behavior of vanadium nitride thin films deposited using RF magnetron sputtering L Aissani, M Fellah, AH Chadli, MA Samad, A Cheriet, F Salhi, C Nouveau, ... Journal of Materials Science 56 (30), 17319-17336 , 2021 2021 Citations: 58
Structural, electronic, magnetic and mechanical properties of three LaMnO3 phases: Theoretical investigations I Koriba, B Lagoun, A Guibadj, S Belhadj, A Ameur, A Cheriet Computational Condensed Matter 29, e00592 , 2021 2021 Citations: 42
Experimental investigation of structural, wetting, mechanical and Tribological properties of TiZrN thin films deposited by magnetron sputtering F Salhi, L Aissani, M Fellah, A Chadli, A Cheriet, A Belgroune, C Nouveau, ... Surfaces and Interfaces 27, 101519 , 2021 2021 Citations: 34
First-principles study of structural, electronic, optical and elastic properties of cadmium based Fluoro-Perovskite MCdF3 (M= Rb, Tl) A Cheriet, B Lagoun, M Halit, M Zaabat, C Abdelhakim, L Hamza Solid State Phenomena 297, 173-186 , 2019 2019 Citations: 34
Phase stability, mechanical and optoelectronic properties of lanthanum chromite-based perovskite oxide I Koriba, B Lagoun, A Cheriet, A Guibadj, S Belhadj, A Ameur, L Aissani, ... Applied Physics A 128 (1), 82 , 2022 2022 Citations: 13
Structural and Anisotropic Elastic Properties of Hexagonal YMnO 3 in Low Symmetry Determined by First-Principles Calculations A Chadli, M Halit, B Lagoun, F Mohamedi, S Maabed, A Cheriet, E Hlil, ... Solid State Phenomena 297, 120-130 , 2019 2019 Citations: 11
First-principles calculations to investigate structural, magnetic, electronic and elastic properties of full-Heusler alloys Co2MB (M=V, Mn) A Cheriet, S Khenchoul, L Aissani, B Lagoun, M Zaabat, A Alhusseine Solid State Communications 337 , 2021 2021 Citations: 6
TB-mBJ Calculations of Structural and Optoelectronic Properties of the Rhombohedral Phase of Bismuth Sodium Titanate (Bi 0.5 Na 0.5 )TiO 3 W Chatta, B Lagoun, H Lidjici, A Chadli, A Cheriet, H Farh, H Khemakhem, ... Solid State Phenomena 297, 165-172 , 2019 2019 Citations: 6
Theoretical Study of the Structural, Magnetic, Electronic and Elastic Properties of VSb-Based Half-Heusler Alloys: F. Sofrani et al. F Sofrani, K Boudia, A Cheriet, A Alhussein, L Aissani Journal of Electronic Materials 52 (8), 5727-5737 , 2023 2023 Citations: 3
Failure prediction of laminated composites: simulation of the nonlinear behavior and progressive damage A Bensalem, A Daoui, A Cheriet, S Lecheb, A Chellil, H Kebir, L Aissani Fibers and Polymers 24 (11), 4005-4012 , 2023 2023 Citations: 2
Influence of Fe concentration on the properties of the electrodeposited Zn–Fe coatings FZ Hamdi, A Hamdi, S Khenchoul, A Rahmani, A Cheriet, L Aissani, ... Journal of the Indian Chemical Society 99 (6), 100498 , 2022 2022 Citations: 2
Analytical Evaluation of Two-Center Integrals for Slater-Orbitals Type in Hartree-Fock Formalism on Noncommutative Space S Khenchoul, B Lagoun, A Guibadj, A Cheriet, R Belhaoues International Journal of Theoretical Physics 58 (4), 1071-1078 , 2019 2019 Citations: 2
Photoelectrochemical, Structural, and Optical Investigations of Silver-Doped Cupric Oxide Films Fabricated via Electrodeposition H Bensenouci, A Belgroune, A Cheriet, L Aissani, A Hamdi, M Ferhat, ... ECS Journal of Solid State Science and Technology 14 (9), 093002 , 2025 2025 Citations: 1
Structural, Electronic and Zinc Doping Effect on the Catalytic and Optical Properties of Lanthanum Orthochromite Perovskite: Experimental and Theoretical Study A Chadli, I Chadli, A Hammoudeh, A Cheriet, G Manca Kinetics and Catalysis 66 (1), 54-64 , 2025 2025 Citations: 1
Computational characterization of structural, electronic, elastic and magnetic properties of double half-Heusler alloy Fe2MnCoGe2 A Cheriet, K Boudia, R Hamdi, F Sofrani, F Khelfaoui Studies in Engineering and Exact Sciences 5 (2), e11737-e11737 , 2024 2024 Citations: 1
Investigation of the physical and superconductivity properties of Au2ScX full Heusler alloys: First-principles calculations H Abdi, A Cheriet, I Koriba, R Benmiloud, B Aissous, S Khenchoul, ... Physica B: Condensed Matter, 418573 , 2026 2026
Pressure Effects on the Structural, Mechanical and Opto-Electronic Properties of Potassium-Based Antiperovskites K3XO (X= Cl, Br, I) from First-Principles Investigation H Kerbiche, A Chadli, A Cheriet Archives of Metallurgy and Materials, 157-172-157-172 , 2026 2026
Correction: Theoretical Study of the Structural, Magnetic, Electronic and Elastic Properties of VSb-Based Half-Heusler Alloys F Sofrani, K Boudia, A Cheriet, A Alhussein, L Aissani Journal of Electronic Materials 54 (4), 3319-3319 , 2025 2025
New Insight into Mechanical Stability, Electronic and Elastic Properties of Paraelectric h-YMnO3 from First-Principles Calculations I Chadli, A Chadli, A Cheriet, B Lagoun Archives of Metallurgy and Materials, 1383–1390-1383–1390 , 2025 2025
Theoretical investigation of structural, electronic and mechanical properties of the hard LaB4 material R Hamdi, B Lagoun, HA Benhorma, S Khenchoul, B Fekieur, A Cheriet, ... Computational Condensed Matter 31, e00664 , 2022 2022