The Order Parameter and Phase Transformations in Compounds with Ionic Stoichiometry

The paper considers instability of a symmetric linear ion chain against a spontaneous distortion that orders ions of opposite charge without a multiple change in the spacing. Transverse deformation in dense chains is observed. The dipolar interaction responsible for 3D ordering of similar structures of Cu—O chains in yttrium perovskites has been assessed. The superclose ion packing in Cu—O chains is explained by the existence of an oriented hole orbital in the electronic structure of bivalent copper. The possible role of this orbital as an additional degree of freedom leading to thermodynamic singularities at intermediate temperatures below the tetra–ortho transition temperature has been investigated.