Yazar "Bin-Omran, Saad" 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 ... -
A Comprehensive Ab Initio Study of the Recently Synthesized Zintl Phase CsGaSb2 Structural, Dynamical Stability, Elastic and Thermodynamic Properties
Al-Essa, Sumayah; Essaoud, Saber Saad; Bouhemadou,Abdelmadjid; Ketfi, Mohammed Elamin; Bin-Omran, Saad; Chik, Abdullah; Radjai, Missoum; Allali, Djamel; Khenata, Rabah; Al-Douri, Yarub (Springer, 2024)A comprehensive examination of the crystal structure, as well as elastic and thermal properties, of the recently created Zintl phase CsGaSb2 has been carried out using ab initio density functional theory pseudo-potential ... -
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 ... -
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 ... -
A first-principles investigation on the structural, electronic and optical characteristics of tetragonal compounds XAgO (X = Li, Na, K, Rb)
Allali, Djamel; Abdelmadjid, Bouhemadou; Saber, Saad Essaoud; Bahri, Deghfel; Zerarga, Fares; Amari, Rabie; Radjai, Missoum; Bin-Omran, Saad; Rabah, Khenata; Al-Douri, Yarub (Elsevier B.V., 2024)First-principles calculations employing the density functional theory full-potential (linearized) augmented plane-wave plus local orbitals (FP-(L)/APW + lo) method were conducted to investigate the structural, electronic ...
