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Electron paramagnetic resonance (EPR) zero-field splittings D for Mn 2+  and Fe 3+  in wurtzite GaN crystals are studied from high-order perturbation formulas based on the spin-orbit mechanism in both weak- and strong-field schemes. From these studies it can be seen that the Mn 2+  or Fe 3+  impurity does not occupy the exact Ga 3+  position, but is displaced by ΔR on the C 3  axis. The displacements are confirmed from a study of the superposition model, based on which a normal value of b̅2 (Ro) ( ≈ -0 .34 (15) cm -1  ) for the Fe 3+ -N 3-  combination is suggested. The EPR parameters D, g ||  and g ⟂ for Ni 3+  in GaN crystals are also studied. It is found that Ni3+ is almost not displaced. The impurity displacements in GaN are discussed by considering the valences and radii of these impurity ions and the replaced Ga 3+  ion. - Pacs: 61.16Hn; 76.30Fc; 71.70Ch

Defect Structures for Fe 3+ , Mn 2+ , and Ni 3+ Impurities in Wuritzite GaN Crystals