Abstract

This study addresses the nature of the hole states in the high oxidation state cuprates. From the thermochemistry of oxidation in the cuprate superconductors, specifically inLa 2− x A x CuO 4− x/2+δ ( A =Ba, Sr, Ca, Pb) and YBa 2Cu 3O 6+δ, a model is proposed that assigns a major fraction of the holes in these “Cu 3+” materials to states which chemically are “peroxidelike,” involving holes paired on adjacent oxygens. Based on this hypothesis previously reported structural observations on NaCuO 2, KCuO 2,La 2− x Sr x CuO 4−x/2+δ, and YBa 2Cu 3O 6+δ are modeled. Electrical properties (including superconductivity) of the high oxidation state cuprates are closely related to these structural trends.

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