Kurum Yazarı "Al-Douri, Yarub" WoS İndeksli Yayınlar Koleksiyonu İçin Listeleme
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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 ... -
First-principles calculations to investigate structural, electronic, piezoelectric and optical properties of Sc-Doped GaN
Bendahah, Abla; Bensaid, Djillali; Yhaia, Azzaz; Khadidja, Mokadem; Noureddine, Moulay; Bendouma, Doumi; Al-Douri, Yarub (Springer Nature, 2024)Ab-initio calculations are performed to understand the effect of Sc incorporated into Wurtzite gallium nitride (GaN) on the optical properties to give a systematic idea of the spontaneous polarization Ps in Sc0.5Ga0.5N. ... -
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 ...