Yazar "Radjai, Missoum" için WoS İndeksli Yayınlar Koleksiyonu listeleme
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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 ... -
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 ...