Bond ionicities of high-Tc oxides

A semiempirical method for the calculation of the bond ionicity, which is applicable even to extremely anisotropic systems such as copper-oxide superconductors, is proposed as a generalization of the Phillips-Van Vechten-Levine scheme. The value of the ionicity calculated for oxides generally tends to increase as the crystal strain becomes more tensile. It is characteristic of cuprate superconductors that the values of the ionicity are high compared with other 3d transition-metal oxides. Also significant are the extremely high ionicities in the direction normal to the CuO₂ planes and the relatively high covalencies of the intraplanar bonds. These crystal-chemical characteristics may be intimately related to the remarkable insulator-to-metal transition and the associated high-T_c superconductivity in the layered copper-oxide systems.