Abstract
We propose materials design to fabricate the transparent and half-metallic ferromagnets in V or Cr-doped ZnS, ZnSe and ZnTe based upon ab initio electronic structure calculation with the local-spin-density-functional approximation. The electronic structure and the magnetic properties of 3d-transition-metal-atom-doped II-VI compound semiconductors of ZnS, ZnSe and ZnTe are systematically calculated using the Korringa-Kohn-Rostoker method with taking into account the substitutional disorder by the coherent potential approximation. It is shown that V or Cr-doped ZnS, ZnSe and ZnTe are ferromagnetic without p- or n-type doping treatment, however, Mn-, Fe-, Co- or Ni-doped ZnS, ZnSe and ZnTe are the spin-glass states.