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On the capability of revealing the pseudosymmetry of the chalcopyrite‐type crystal structure
Author(s) -
AbouRas D.,
Gibmeier J.,
Nolze G.,
Gholinia A.,
Konijnenberg P.
Publication year - 2008
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.200711082
Subject(s) - misorientation , tetragonal crystal system , electron backscatter diffraction , superstructure , chalcopyrite , crystallography , thin film , crystal structure , texture (cosmology) , crystal (programming language) , diffraction , materials science , electron diffraction , chemistry , optics , nanotechnology , grain boundary , metallurgy , physics , microstructure , artificial intelligence , copper , computer science , programming language , image (mathematics) , thermodynamics
The tetragonal crystal‐structure type of chalcopyrites (chemical formula A I B III C VI 2 ) 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 CuInSe 2 and CuGaSe 2 thin films, simulations demonstrate that it is theoretically possible to reveal the tetragonality in electron backscatter‐diffraction (EBSD) patterns for CuGaSe 2 , whereas it may not be possible for CuInSe 2 . EBSD experiments on CuGaSe 2 thin films using the ”Advanced Fit” band‐detection method show that it is possible to extract accurate misorientation‐angle distributions from the CuGaSe 2 thin film. Pole figures revealing the texture of the CuGaSe 2 thin film are shown, which agree well with X‐ray texture measurements from the same layer. (© 2008 WILEY ‐VCH Verlag GmbH & Co. KGaA, Weinheim)