Yazar "Essaoud, Saber 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 ...
