EXAFS Studies on (Cu, In)Se2

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Abstract
The local structure of chalcopyrite (Cu, In)Se2 has been investigated by extended X-ray absorption fine structure (EXAFS) measurements on the Cu K- and the Se K-edges. The values of the Cu-Se and the In–Se bond lengths were determined for various values of the Cu/In ratio, and the Se position parameter u was estimated from the obtained bond lengths and the lattice parameters. For the sample with Cu/In=0.96, the u-values obtained from the Cu–Se and the In–Se bond lengths are consistent with each other, and it was determined as 0.223. On the other hand, the relation of these structural parameters show a deviation from the values expected for the chalcopyrite structure as the Cu/In ratio deviates from 0.96. These results indicate that the chalcopyrite single phase is obtained within a narrow range of the Cu/In ratio around 0.96 while a structural disorder due to either the compositional fluctuation or the multiphase occurs as the Cu/In ratio deviates from 0.96.

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