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Pseudosymmetry software for studying the pseudosymmetry of crystal atomic structures

✍ Scribed by Somov, N. V.; Chuprunov, E. V.


Book ID
121563708
Publisher
SP MAIK Nauka/Interperiodica
Year
2014
Tongue
English
Weight
159 KB
Volume
59
Category
Article
ISSN
1063-7745

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The tetragonal crystal-structure type of chalcopyrites (chemical formula ) 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