SPIN-POLARIZED BAND FOR Zn_0.5Mn_0.5Se

The electronic band structures, density of states and magnetic parameters for layer structural Zn_0.5Mn_0.5Se in ferromagnetic ( F) phase have been calculated, using self-consistent linearized muffin-tin orbital method in atomic sphere approximation (LMTOASA). The p-d repulsion model is used to explain the band structure and distribution of density of states (DOS). The antiferromagnetic band structure is qualitatively analysed for this material in terms of p-d repulsion mechanism.