Analysis of partial dislocations in wurtzite GaN using gradient elasticity



A non-singular gradient elasticity solution for the dislocation self-energy is employed and compared to previous results for 1/6〈20equation image3〉 partial dislocations fault in wurtzite GaN obtained by empirical potential calculations. Twenty-four previously obtained stable dislocation cores, twelve for each GaN polarity, are considered. It is shown that the gradient elasticity solution can be fitted to the atomistic simulations with good agreement and can be employed to trace the energetically favourable cores without the requirement of defining a core radius. As a byproduct of this continuum approach, a dislocation self-energy quantity is derived as a constant material property in terms of a gradient coefficient. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)