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 MxN,Al1-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=0.125,x=0.25, x=0.50,x=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).

Autorentext

Doktor Fethallah DAHMANE - professor fiziki w uniwersitete Tissemsilt. Poluchil stepen' doktora filosofii w Uniwersitete Sidi Bel' Abbes w 2014 godu. Ego osnownaq nauchnaq rabota sosredotochena na strukturnyh, älektronnyh i magnitnyh swojstwah kristallicheskih materialow s ispol'zowaniem teorii funkcionala plotnosti (DFT), realizowannoj w paketah WIEN2K.