Yazar "Allaf, Hatem" için 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 ... -
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 ... -
Investigation of the structural, electronic and optical properties of halide perovskites AgXBr3 (X = Ca, Sr, and Ba) using DFT framework
Allali, Djamel; Bedjaoui, Abdelhak; Bouhemadou, Abdelmadjid; Deghfel, Bahri; Radjai, Missoum; Essaoud, Saber Saad; Allaf, Hatem; enmakhlouf, Abdennour; Al-Douri, Yarub (Indian Assoc Cultivation Science, 2025)Using the full-potential linearised augmented plane wave approach, we examined the structural, electronic, and optical features of AgXBr3 perovskite materials (X = Ca, Sr, or Ba). The GGA-PBEsol exchange-correlation ...
