Scanning of two-dimensional space groups

2015 ◽  
Vol 71 (1) ◽  
pp. 111-113 ◽  
Author(s):  
Daniel B. Litvin
Keyword(s):  
Dimensional Space ◽  
Coincidence Site Lattice ◽  
Group Symmetry ◽  
Two Dimensional ◽  
Site Lattice ◽  
Tilt Axis ◽  
Space Groups ◽  
Tilt Boundaries

Tables of the scanning of two-dimensional space groups are presented to determine the frieze-group symmetry of lines that transect two-dimensional crystals. It is shown how these tables can be used to predict the (001) projection symmetries of migration-related segments of coincidence site lattice tilt boundaries with [001] tilt axis.

On Coincidence Site Lattice Modelling of Twins in the Sphalerite and Chalcopyrite Structures

2007 ◽  
Vol 1012 ◽  
Author(s):  
Ken Durose
Keyword(s):  
Solar Cells ◽  
Coincidence Site Lattice ◽  
Chemical Activity ◽  
Chalcopyrite Structure ◽  
Site Lattice ◽  
First Order ◽  
Atomic Structures ◽  
Nearest Neighbours ◽  
Metal Metal ◽  
Tilt Boundaries

AbstractCoincidence site lattice (CSL) modelling has been applied to determine the orientations and atomic structures of first order twin boundaries in the chalcopyrite structure. A rotation of 250°32' about [110] generated a CSL similar to that for the Ó = 3 sphalerite boundary, but with one in two cation columns being metal-metal anti-sites. The models predict one coherent boundary type i.e. (112)M-(112)T, and four lateral types, (110)M-(118)T, (1110)M-(112)T, (114)M-(114)T, (001)M-(114)T. Un-relaxed atomic models for the boundaries have been constructed. The coherent boundary is shown to differ from that in sphalerite by the inclusion of one in two Se columns having alternate atoms with either three Cu and one In nearest neighbours or vice versa. All of the [110] tilt boundaries in chalcopyrite are expected to be electrically active. A tentative list of the boundaries ranked by energy, electrical and chemical activity is given, along with comments on the influence of preferred orientation in polycrystalline films in the context of solar cells.

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