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Citations since 2016
6 Research Items
In this paper we present and discus the structural, elastic, electronic and optical properties of the new ternary alloys Ca0.75Zn0.25S and Ca0.75Zn0.25Se in NaCl (B1) structure using the full potential-linearized augmented plane wave (FP-LAPW) method which is based on the density functional theory (DFT). To perform the structural and elastic calcul...
Ab initio calculations are performed to investigate theoretically the structural stability, electronic, magnetic, and elastic properties of dilute magnetic semiconductors Ca0.75TM0.25S (TM = Mn, Co, and Ni). These materials crystallize in the ferromagnetic rock-salt phase and are made by doping the CaS binary semiconductor with transition metals at...
The structural, phase stability, elastic and electronic properties of Sb-doped BBi have been systematically investigated in the zinc blende phase by means of the first-principle approach based on the density functional theory (DFT). The structural and elastic properties were computed by using the generalized gradient approximation proposed by Wu an...
In this work, we studied the properties of vanadium doped binary MgS compound Mg1−xVxS (x = 0.125, 0.25, 0.50 and 0.75) in both ferromagnetic rock-salt and zinc-blende structures. The studied properties are structural, electronic and magnetic. The objective of this study is to explore the new dilute magnetic semiconductor systems. We have used two...
The objective of this work is to predict the structural, electronic, magnetic and elastic properties of Mg1−xTMxS (TM=Mn, Fe, Co and Ni) compound in the zinc blende Ferromagnetic phase using first principal approach. The structural and elastic properties are performed using the generalized gradient approximation proposed by Wu and Cohen(WC-GGA). Ho...
The objective of this work is to predict the structural, electronic and magnetic properties of Mg 1−xCr x S (x = 0, 0.25, 0.50, 0.75 and 1) compound in the zinc blende ferromagnetic phase using the first principal approach. The structural properties are performed using the generalized gradient approximation developed by Perdew–Burk–Ernzerhof (PBE-G...