A tight-binding molecular dynamics study was made of the structure and electronic properties of a few high-energy twist grain boundaries: (001) 53.1º Σ = 5 and (001) 43.6º Σ = 29, in the covalent material.

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