Abstract
We have proposed a numerical methodology termed pixel mapping (PM) method on the basis of crystallography. The PM method can characterize various defects in 24 prototypes cubic crystals listed in the Strukturbericht database. It identifies point defects, linear defects, planar defects (including antiphase domains in compound crystals), also structure change (including amorphization). The long-range order (LRO) parameter has been defined as a set of LRO components for each prototype. Further advantage of the PM method results from the coarse-grained viewpoint, which allows us to specify the Miller index of a planar defect with areal density or crystallographic direction of a linear defect. We found a tetrahedral antisite cluster, (CSi)SiC)4, in 3C-SiC due to ion irradiation. The bonding directions from central to surrounding atoms were all <111> directions. We examined the reason why such cluster was formed. Whenever this cluster was formed, the collapse of LRO preceded. Then clusters emerged remarkably associated with many complexes of antisites-vacancy pairs.
