Numerical study of magnetic states and magnetic properties of transition metal doped II-VI oxide semiconductors

Emerging of oxide type dilute magnetic semiconductors (DMS) is remarkable in the field of spintronics for their magnetic effects and dual nature such as ferromagnetic (FM) and semiconducting behavior. Stable magnetic state of transition metals doped dilute n-type oxide compound (A1-xTx)O is calculated using the all-electron Korringa-Kohn-Rostoker (KKR) Green's function method, where A (Cd, Zn) is a nonmagnetic cation, T (Ti, V, Cr, Mn, Fe, Co, Ni) is a magnetic cation, and x represents cationic concentration. The magnetic atoms are used as 3d dopant at the cation sites of A. Self-consistent total energy per unit cell is calculated for the FM and local moment disordered (LMD) states. The electronic and magnetic properties, depend on the concentration of atoms and carriers, are greatly enhanced by V, Cr, and Ni doping at the cation sites of ZnO compounds. The similar feature is found for Cr and Fe doped CdO compounds. Curie temperature TC of ferromagnetically stable compounds is estimated within the mean field approximation. The TC higher than and close to room temperature at 10% concentration is found for the (Zn1-xCrx)O, (Zn1-xVx)O, (Zn1-xNix)O, and (Cd1-xTix)O compounds, respectively. On the contrary, FM instability is manifested for both 5% and 10% Ni doped CdO compounds.