First principles investigation of transition-metal doped group-IV   semiconductors: R${_x}$Y$_{1-x}$ (R=Cr, Mn, Fe; Y=Si, Ge)
  A number of transition-metal (TM) doped group-IV semiconductors, R$_{x}$Y$_{1-x}$ (R=Cr, Mn and Fe; Y=Si, Ge), have been studied by the first principles calculations. The obtained results show that antiferromagnetic (AFM) order is energetically more favored than ferromagnetic (FM) order in Cr-doped Ge and Si with $x$=0.03125 and 0.0625. In 6.25% Fe-doped Ge, FM interaction dominates in all range of the R-R distances while for Fe-doped Ge at 3.125% and Fe-doped Si at both concentrations of 3.125% and 6.25%, only in a short R-R range can the FM states exist. In the Mn-doped case, the RKKY-like mechanism seems to be suitable for the Ge host matrix, while for the Mn-doped Si, the short-range AFM interaction competes with the long-range FM interaction. The different origin of the magnetic orders in these diluted magnetic semiconductors (DMSs) makes the microscopic mechanism of the ferromagnetism in the DMSs more complex and attractive. 
Hongming Weng, Jinming Dong