Browsing by Author "Saad, Binomran"
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Elastic and thermodynamic properties of ZnSc2S4 and CdSc2S4 compounds under pressure and temperature effects
Abdelmadjid, Bouhemadou; Gökay, Uǧur; Şule, Uǧur; S., Al-Essa; Mohamed Amine, Ghebouli; Rabah, Khenata, Prof. Dr.; Saad, Binomran; Yarub, Al-Douri, Assoc. Prof. Dr. (Elsevier B.V., 2013)Results of ab initio calculations of the lattice parameter, elastic constants and some thermodynamic parameters in a wide range of pressures and temperatures are reported for the ZnSc2S4 and CdSc 2S4 cubic spinels. The ... -
FP-LMTO method to calculate the structural, thermodynamic and optoelectronic properties of SixGe1-xC alloys
Mohammed Ameri; N., Bouzouira; Rabah, Khenata, Prof. Dr.; Yarub, Al-Douri, Assoc. Prof. Dr.; Bachir, Bouhafs; Saad, Binomran (Taylor & Francis, 2013-11)The structural and electronic properties of the ternary Si xGe1-xC alloys have been calculated using the full-potential linear muffin-tin-orbital (FP-LMTO) method based on density functional theory within both local density ... -
Structural, elastic, electronic and optical properties of Cu3TMSe4 (TM = V, Nb and Ta) sulvanite compounds via first-principles calculations
K., Bougherara; F., Litimein; Rabah, Khenata, Prof. Dr.; Ercan, Uçgun; Hamza Yaşar, Ocak; Şule, Uǧur; Gökay, Uǧur; Ali Hussain, Reshak, Prof. Dr.; Fethi, Soyalp; Saad, Binomran (American Scientific Publishers, 2013-01)The structural and optoelectronic properties of the cubic Cu3TMSe4 (TM = V, Nb and Ta) sulvanite compounds have been calculated using a full-potential augmented plane wave plus local orbitals (FP-APW+lo) method within the ... -
Structural, elastic, electronic and thermodynamic properties of the filled skutterudite CeOs4Sb12 determined by density functional theory
Mohammed Ameri; Keltouma, Boudia; Rabah, Khenata, Prof. Dr.; Bachir, Bouhafs; Abdelmajid, Rais; Saad, Binomran; B., Abidri; Yarub, Al-Douri, Assoc. Prof. Dr. (Elsevier Ltd., 2013)Structural, elastic, electronic and thermodynamic properties of the ternary cubic filled skutterudite CeOs4Sb12 compound were calculated using the full-potential linear muffin-tin orbital implementation of density functional ... -
Structural, electronic, and optical properties of orthorhombic and triclinic BiNbO4 determined via DFT calculations
Litimein, F; Rabah, Khenata, Prof. Dr.; Gupta, Sanjeev Kumar, Prof.; Murtaza, Ghulam, Assoc. Prof.; Ali Hussain, Reshak, Prof. Dr.; Abdelmadjid, Bouhemadou; Saad, Binomran; Masood, Yousaf; Jha, Prafulla Kumar (Springer Science+Business Media New York., 2014-11)We performed ab initio calculations using the FPLAW method with the local density approximation (LDA) implemented in the WIEN2 k code for the orthorhombic (α) and triclinic (β) phases of BiNbO4. The modified Becke-Johnson ...