Abstract

The effect of spin crossovers in dn terms on the effective Hubbard parameter (Ueff) determining the gap between the lower and upper Hubbard bands is analyzed using a many-electron approach to describe the electron structure of Mott insulators. A new mechanism of the insulator-metal transition is established for d5 ions, which is related to a decrease in Ueff caused by spin crossover. For other ions, the Ueff value is either independent of pressure (d2, d4, d7) or it exhibits nonmonotonic growth (d3, d6, d8).

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