Browsing School of Microelectronic Engineering (Articles) by Author "Khenata, R."
Now showing items 1-6 of 6
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Density functional calculation for the first and second harmonic generation of the chalcopyrite Ga2AsSb
Reshak, Ali Hussain; Ouahrani, T.; Khenata, R.; Otero-de-la-Roza, A.; Luana, V.; Baltache, H. (Elsevier B. V., 2011-01)An ab initio study of the band structure, density of states, topology of the electron density and the spectral features of the linear and non-linear optical properties of the Ga2AsSb chalcopyrite are presented. The lattice ... -
Electronic properties of orthorhombic LiGaS2 and LiGaSe 2
Reshak, Ali H.; Auluck, S.; Kityk, I. V.; Yarub K.A, Al-Douri; Khenata, R.; Bouhemadou, A. (Springer Berlin/Heidelberg, 2009)We report theoretical calculations of the band structure and density of states for orthorhombic LiGaS2 (LGS) and LiGaSe2 (LGSe). These calculations are based on the full potential linear augmented plane wave (FP-LAPW) ... -
First principles study of the structural, elastic and electronic properties of Ti2InC and Ti2InN
Benayad, N.; Khenata, R.; Litimein, F.; Reshak, Ali Hussin; Rabah, M.; Baltache, H. (World Scientific Publishing Company, 2011-04-20)The structural, elastic and electronic properties of Ti2InC and Ti2InN compounds have been calculated using the full-potential linear muffin-tin orbital (FP-LMTO) method. The exchange and correlation potential is treated ... -
FP-LAPW investigation of structural, electronic, linear and nonlinear optical properties of ZnIn2Te4 defect-chalcopyrite
Ayeb, Y.; Ouahrani, T.; Khenata, R.; Reshak, Ali H.; Rached, D.; Bouhemadou, A.; Arrar, A. (Elsevier B. V., 2010-12)A theoretical study of structural, electronic, linear and nonlinear optical properties of ZnIn2Te4 defect-chalcopyrite is presented using the full-potential linearized augmented plane-wave (FP-LAPW) method. The exchange ... -
Prediction study of the structural and elastic properties for the cubic skutterudites LaFe4A12 (A = P, As and Sb) under pressure effect
Hachemaoui, M.; Khenata, R.; Bouhemadou, A.; S., Bin-Omran; Ali H. Reshak, Al-Jaary; Semari, F. (Elsevier Ltd., 2010-10)We have performed accurate ab initio total energy calculations using the full-potential linear augmented plane wave plus local orbitals method with the local density approximation for the exchangecorrelation potential ... -
Structural, elastic, electronic, optical and thermal properties of c-SiGe2N4
Bouhemadou, A.; Yarub K.A, Al-Douri; Khenata, R.; Haddadi, K. (Springer Verlag, 2009-09)We have investigated the structural, elastic, electronic, optical and thermal properties of c-SiGe2N4 by using the ultrasoft pseudopotential density functional method within the generalized gradient approximation. The ...