Yazar "Bouhemadou, Abdelmadjid" için listeleme
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Ab initio investigation of structural, elastic, and thermodynamic characteristics of tetragonal XAgO compounds (X = Li, Na, K, Rb)
Allali, Djamel; Amari, Rabie; Bouhemadou, Abdelmadjid; Boukhari, Ammar; Deghfel, Bahri; Essaoud, Saber Saad; Bin-Omran, Saad; Radjai, Missoum; Khenata, Rabah; Al-Douri, Yarub (Institute of Physics, 2023)The present research utilizes ab initio computations to examine the thermodynamic, structural, and elastic characteristics of XAgO ternary oxides, where X signifies Li, Na, K, and Rb.The GGA-PBE and GGA-WC functionals were ... -
Ab initio predictions of pressure-dependent structural, elastic, and thermodynamic properties of CaLiX3 (X = Cl, Br, and I) halide perovskites
Allaf, Hatem; Radjai, Missoum; Allali, Djamel; Bouhemadou, Abdelmadjid; Essaoud, Saber Saad; Bin-Omran, Saad; Khenata, Rabah; Al-Douri, Yarub (Elsevier B.V., 2023)In this comprehensive investigation, we undertook an ab initio exploration of the pressure-dependent structural, elastic and thermodynamic attributes of lithium-based halide perovskite compounds, namely CaLiCl3, CaLiBr3 ... -
Computational investigation of the structural, elastic, electronic, and thermodynamic properties of chloroperovskites GaXCl3 (X = Be, Ca, or Sr) using DFT framework
Radjai, Missoum; Saad Essaoud, Saber; Bouhemadou, Abdelmadjid; Allali, Djamel; Bedjaoui, Abdelhak; Bin-Omran, Saad; Khenata, Rabah; Al-Douri, Yarub (Institute of Physics, 2024)In this study, we employed the pseudopotential plane wave approach to examine the influence of the X atom (X = Be, Ca, or Sr) on the physical properties of isostructural chloroperovskites GaXCl3. The GGA-PBEsol functional ... -
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 ... -
Electronic and optical characteristics of CaLiX3 (X = Cl, Br, I) perovskite compounds using the Tran-Blaha modified Becke-Johnson potential
Allaf, Hatem; Allali, Djamel; Radjai, Missoum; Bouhemadou, Abdelmadjid; Saad Essaoud, Saber; Bedjaoui, Abdelhak; Bin-Omran, Saad; Khenata, Rabah; Al-Douri, Yarub; Chaba Mouna, Sarah (Institute of Physics, 2024)We present the results of a comprehensive investigation using the full-potential linearized augmented plane wave approach to analyze the structural characteristics, electronic structures, and optical spectra of the perovskite ...
