A tight-binding molecular dynamics study was made of the high-energy twist boundaries: (001) φ =53.1° Σ = 5, and (001) φ = 43.6° Σ = 29. The main results which were obtained for the structural and electronic properties of the grain boundaries were described.

Atomic and Electronic Structure of High-Energy Grain Boundaries in Silicon and Carbon. F.Cleri: Computational Materials Science, 2001, 20[3-4], 351-62