Possibility of two-minimum potential for oxygen ions in Cu–O–Cu chains

The potential of an oxygen ion surrounded by two copper ions is considered for the case of arbitrary valences. The repulsion potential parameters are estimated for structural data of CuO and Cu2O crystals. The attraction between the ions is found to be determined by the ion–dipole and Coulomb interactions. It is shown that the (Q1, Q2) space, where Q1 and Q2 are the valences of copper and oxygen ions respectively, has a region in which the potential acquires two minima. This region is close to the “normal” values Q1 = Q2 = 2.

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