Atomic and electronic structures of the ridgeline and the apex of stacking-fault tetrahedron defect in Si films were studied by using the first-principles calculations. It was shown that the electron and hole states of bulk Si were localized around the stacking-fault tetrahedron faces, the stacking-fault tetrahedron ridges, and the stacking-fault tetrahedron apices. This feature occurred due to the unique atomic geometries in these stacking-fault tetrahedron structures, such as stacking-fault layers, dimer bonds, and the Si-dome structures.

First-Principles Study of Crystal and Electronic Structures of Stacking-Fault Tetrahedra in Epitaxialized Si Films. R.Kobayashi, T.Nakayama: Journal of Crystal Growth, 2005, 278[1-4], 500-4