The Stillinger-Weber potential was modified in order to study the properties of this material. A Gaussian term was added so as to be able to include third-nearest neighbor interactions. The results reproduced all of the equilibrium lattice constants, and the bulk moduli for wurtzite and zincblende structures. The modified potential was used to investigate the atomic structure of {11•0} planar defects. It was found that the Drum model was energetically more favorable than the Amelinckx model.

Modified Stillinger-Weber Potential for Planar Defect Modelling in GaN. A.Béré, P.Vermaut, A.Hairie, E.Paumier, P.Ruterana, G.Nouet: Materials Science Forum, 1999, 294-296, 223-6