Structural Mechanism of Cluster Formation in Ordered Chalcogenide Spinels

摘要

The structural mechanism of 1:1 ordering in tetrahedral positions of the spinel structure is investigated within the framework of the group-theoretical methods as applied to the theory of second-order phase transitions.The results of the calculations performed demonstrate that the mechanism of formation of a low-symmetry ordered phase appears to be more complex than traditionally considered earlier.It is found that the formation of the low-symmetry ordered phase is accompanied by the appearance of clusters consisting of cations and anions.