Browsing by Author "Belkharroubi, Fadila"
Now showing items 1-6 of 6
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Ab Initio Study of Structural, Elastic, Dynamical and Optoelectronic Properties of Half-Heusler BaCaZ (Z = Si, Ge, Sn) Alloys
Sediki, Hayat; Belkharroubi, Fadila; Al-Douri, Yarub; Djezzar, Nor El Houda; Khelfaoui, Friha; Benmoussa, Amar; Slamani, Amel; Rahmani, Rabea; Boudia, Keltouma; Adel, Abdellah El Hadj; Bouhemadou, Abdelmajid (WILEY-V C H VERLAG GMBH, 2025)Half-Heusler BaCaZ (Z = Si, Ge, Sn) alloys are investigated to determine their structural, elastic, dynamical, electronic, and optical characteristics. It is achieved using Wien2k of full-potential linearized augmented ... -
Elastic, mechanical and thermodynamic properties of technetium-based perovskites XTcO3 (X = K, Rb) compounds
Nouri, Toufik; Khelfaoui, Friha; Amara, Kadda; Bouhemadou, Abdelmadjid; Belkharroubi, Fadila; Al-Douri Y. (Elsevier B.V., 2024)Ab-initio calculations are employed to determine the structural, mechanical, elastic, electronic and thermodynamic properties of perovskite oxides XTcO3 (X = K, Rb). From the computed structural properties, KTcO3 and RbTcO3 ... -
First-principles calculations to investigate electronic, magnetic and half-metallic ferromagnetic properties of full-Heusler Mn2OsSn
Belkharroubi, Fadila; Bourdim, Mokhtar; Maizia, Ahmed; Belmiloud, Nawal; Khelfaoui, Friha; Smahi, Zakaria; Boudia, Keltouma; Benchehima, Miloud; Azzi, Saliha; Ameri, Mohamed; Al-Douri Y.; Odeh, Ali Abu (Taylor and Francis, 2023)The structural, electrical, magnetic, and elastic characteristics of the Mn2OsSn full-Heusler compound have all been studied using the full potential linearised augmented plane (FP-LAPW) method. The study's exchange and ... -
A first-principles investigation of structural, mechanical, electronic and magnetic properties of CsMgO3 perovskite
Nouri, Toufik; Khelfaoui, Friha; Amara, Kadda; Belkharroubi, Fadila; Al-Douri, Yarub; Abu Odeh, Ali; Al-Samarai, Riyadh A. (Elsevier B.V., 2024)Using density functional theory (DFT) with the generalized gradient approximation (GGA), we have performed a comprehensive investigation of the structural, elastic, electronic, and magnetic properties of CsMgO3 perovskite. ... -
Structural, Elastic, Electronic, and Magnetic Properties of Nd-Doped NaScGe Half-Heusler Compound by Ab-Initio Method
Belkharroubi, Fadila; Belkilali, Walid; Khelfaoui, Friha; Boudahri, Fethi; Zahraoui, Mehdi; Belmiloud, Nawal; Bentayeb, Kader; Abdellah, El Hadj Adel; Bennoui, Radja Nour El Imene; Belbachir, Raghed; Al-Douri Y. (John Wiley and Sons Inc, 2024)A comprehensive investigation is conducted on the electronic structure and magnetic properties of half-Heusler NaScGe, which is doped with a rare earth element Nd with different concentrations. The Heusler Na1-xNdxScGe ... -
Valence Electron Count-Based Density Functional Theory to Investigate Structural Stability, Optoelectronic and Thermoelectric Properties of New p-Type Half-Heusler Zryau (Y=B, Al) Alloys
El Imene Bennoui, Radja Nour; Adli, Walid; Al-Douri Y; Belkharroubi, Fadila; Sidjilani, Fatima; Bentayeb, Abdelkader; Khelfaoui, Friha; Belmiloud, Nawa; Bendella, Sid Ahmed; Alagui, Lakhdar; Dib, Anis Samy Amine; Belkaid, Mohammed Noureddine (John Wiley and Sons Inc., 2025)The full-potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory (DFT) and semi-classical Boltzmann transport theory under the constant relaxation time approximation has ...
