A semi-empirical tight-binding model was used to study the total energy of Σ = 11 tilt grain boundaries. At low temperatures, the B structure was found to be the more stable; in agreement with experimental results.
Energy of the Two Variants 11A and 11B in Silicon and Germanium by the Semi-Empirical Tight-Binding Method. J.Chen, A.Hairie, E.Paumier, G.Nouet: Physica Status Solidi B, 2002, 232[2], 191-5