Stillinger-Weber potential parameters were optimized for InN by fitting to the bulk material properties and point defect energy in order to calculate the core structure of the a-edge dislocation. The initial displacement field was imposed in the perfect crystal according to isotropic linear elasticity theory, and then the system was relaxed to the minimum energy. The different origins of the displacement field generate three cores with four, eight or five/seven atoms. The calculated energies indicated that the four-atom core structure was the most stable for InN.

Core Structures of the a-Edge Dislocation in InN. H.P.Lei, P.Ruterana, G.Nouet, X.Y.Jiang, J.Chen: Applied Physics Letters, 2007, 90[11], 111901 (3pp)