Beschreibung
In this work, we present a theoretical study of structural, electronic, magnetic and optical properties for zinc-blende:Ga1xT MxN,Al1xT MxN and In1xT MxN(TM=Cr, Fe, Mn, V) using the full-potential augmented plane wave (FP-APW) method with local spin density approximation (LSDA). We have analysed the dependence of structural parameters values on the composition x in the range of x=0.125,x=0.25, x=0.50,x=0.75, we found existence of deviation from Vegards law. Our calculations also verify the half-metallic ferromagnetic character of TM doped GaN, AlN and InN. Also, the role of p-d hybridization is analyzed by partial (PDOS) and total density of stat (TDOS).
Autorenportrait
Dr Fethallah DAHMANE is a Professor of Physics in university of Tissemsilt. He Received PhD from Sidi Bel Abbes University in 2014. His main scientific work is focused on the structural, electronic and, magnetic properties of crystalline materials using Density functional theory (DFT) as implemented in WIEN2K packages.
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