earticle

영어

We study for the magnetic and electronic properties of V- and Mn-doped hexagonal ZnO and cubic GaNby using the full-potential linear muffin-tin orbital method. The calculations are made at several concentrations fromabout 4 to 12% of dopant atoms in the 48 and 64 atoms supercell for ZnO and GaN, respectively. For Zn1-xMxO (M=Vand Mn) at x=0.083 (pair impurities), the energetically favorable magnetism is the antiferromagnetic states. For V-dopedZnO with the defect, the results show that it is strongly correlated between the energy states by the defect of Zn or Osite and those by V impurity in ZnO.