A non-singular gradient elasticity solution for the dislocation self-energy was employed and compared to previous results for 1/6<20▪3> partial dislocations fault in wurtzite GaN obtained by empirical potential calculations. Twenty-four previously obtained stable dislocation cores, twelve for each GaN polarity, were considered. It was shown that the gradient elasticity solution could be fitted to the atomistic simulations with good agreement and could be employed to trace the energetically favorable cores without the requirement of defining a core radius. As a byproduct of this continuum approach, a dislocation self-energy quantity was derived as a constant material property in terms of a gradient coefficient.

Analysis of Partial Dislocations in Wurtzite GaN using Gradient Elasticity. J.Kioseoglou, G.P.Dimitrakopulos, P.Komninou, T.Karakostas, I.Konstantopoulos, M.Avlonitis, E.C.Aifantis: Physica Status Solidi A, 2006, 203[9], 2161-6