Grain boundary dislocations in a Σ13 grain boundary in silicon. I. Analysis of the possible grain boundary structures and dislocations

Abstract

Abstract The purpose of this paper is to describe the different grain boundary structures and kinds of dislocations which can arise in the {510} Σ13 grain boundary in diamond cubic materials. Firstly, the different possible grain boundary structures are derived within the framework of group theory, and then general expressions for the Burgers vectors of the grain boundary dislocations which separate these structures are obtained. These grain boundary dislocations are of three kinds: (1) perfect grain boundary dislocations (also called DSC dislocations), which do not change the grain boundary structure, (2) imperfect grain boundary dislocations, which relate different, but equivalent, grain boundary structures, and finally (3) partial dislocations, which separate two non-equivalent grain boundary structures. Transmission electron microscopy is then used to show that imperfect dislocations are indeed present in a Σ13 (22·6°/[001]½) grain boundary in Si, and have Burgers vectors consistent with ¼[001]½.