Nitride Semiconductor Doped with Transition Metal

In this work we present a theoretical study of structural electronic magnetic and optical properties for zinc-blende :Ga1−xT MxNAl1−xT MxN and In1−xT 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=0.125x=0.25 x=0.50x=0.75 we found existence of deviation from Vegard’s 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).