Crystal Research and Technology
Cryst. Res. Technol. 43, 234 (2008) - Abstract -

On the capability of revealing the pseudosymmetry of the chalcopyrite-type crystal structure

D. Abou-Ras, J. Gibmeier, G. Nolze*, A. Gholinia**, and P. Konijnenberg**

Hahn-Meitner-Institut Berlin, Glienicker Strasse 100, 14109 Berlin, Germany
*Federal Institute for Materials Research and Testing, Federal Institute for Materials Research and Testing, Unter den Eichen 87, 12205 Berlin, Germany
**Oxford Instruments HKL A/S, Majsmarken 1, 9500 Hobro, Denmark

Keywords pseudosymmetry, chalcopyrites, electron backscatter diffraction, EBSD
PACS 61.14.Dc, 68.37.Hk, 68.55.Jk
DOI 10.1002/crat.200711082

The tetragonal crystal-structure type of chalcopyrites (chemical formula AIBIIICVI2) is a superstructure of sphalerite type. The c/a ratio differs generally from the ideal value 2, i.e., the crystal structure is pseudocubically distorted. For CuInSe2 and CuGaSe2 thin films, simulations demonstrate that it is theoretically possible to reveal the tetragonality in electron backscatter-diffraction (EBSD) patterns for CuGaSe2, whereas it may not be possible for CuInSe2. EBSD experiments on CuGaSe2 thin films using the ”Advanced Fit” band-detection method show that it is possible to extract accurate misorientation-angle distributions from the CuGaSe2 thin film. Pole figures revealing the texture of the CuGaSe2 thin film are shown, which agree well with X-ray texture measurements from the same layer.




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