An investigation was made of the atomic structure of the Σ = 19 (2¯5•0) tilt boundary with a step at the interface by combining high-resolution electron microscopy and simulated

images from the relaxed structures obtained by using an empirical potential of Stillinger-Weber type. Two relaxed structures composed of two parts adjacent to the step were obtained. Each part could be formed either of a mixture of six-atom and five/seven-atom rings (5/7-interface) or a mixture of six-atom and four-atom rings (4-interface). The energetic calculations showed that the atomic structure of the grain boundary made up of a 5/7-interface and a 4-interface to the step was more favorable. Comparison with the experimental image was proposed.

A Step Associated with the Σ = 19 (2¯530) Tilt Boundary in GaN. A.Béré, J.Chen, P.Ruterana, G.Nouet, A.Serra: Journal of Physics - Condensed Matter, 2002, 14[48], 12703-8