The atomic structures of 1/6<20▪3> partial dislocations delineating the I1 intrinsic basal stacking fault in wurtzite GaN were modelled by using an empirical interatomic potential, combined with anisotropic elasticity calculations. Twelve stable configurations were obtained for each polarity, and their core radii, energies and atomic configurations were given. The 5/7-atom ring core in which the atoms were tetrahedrally coordinated was found to be energetically favored among the possible edge dislocation configurations. For the mixed type partials, 5/7- and 12-atom rings were obtained as low-energy cores, but none of them comprised only tetrahedrally coordinated atoms. Each of them was energetically favored under distinct structural conditions.

Atomic Structures and Energies of Partial Dislocations in Wurtzite GaN. J.Kioseoglou, G.P.Dimitrakopulos, P.Komninou, T.Karakostas: Physical Review B, 2004, 70[3], 035309 (12pp)