Materials design of transparent and half-metallic ferromagnets in V- or Cr-doped ZnS, ZnSe and ZnTe without P- or N-type doping treatment

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 elect ronic structure calculation with the local-spin-density-functional approxim ation. The electronic structure and the magnetic properties of 3d-transitio n-metal-atom-doped II-VI compound semiconductors of ZnS, ZnSe and ZnTe are systematically calculated using the Korringa-Kohn-Rostoker method with taki ng into account the substitutional disorder by the coherent potential appro ximation. It is shown that V or Cr-doped ZnS, ZnSe and ZnTe are ferromagnet ic without p- or n-type doping treatment, however, Mn-, Fe-, Co- or Ni-dope d ZnS, ZnSe and ZnTe are the spin-glass states.