Browsing by Author "Baltache, H."
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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 ... -
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 ... -
Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)n/(CrP)m by density functional calculations
M., Merabet; Djamel, Rached; S., Benalia; Ali Hussain, Reshak, Prof. Dr.; Bettahar, N.; Righi, H.; Baltache, H.; Soyalp, F.; Labair, M. (Elsevier, 2014-01)Using the first-principles full-potential linear muffin-tin orbital (FP-LMTO) method based on density functional theory, we have investigated the electronic structure and magnetism of order dilute ferromagnetic semiconductor ...