Effect of spin crossovers on the Mott-Hubbard transition at high pressures

The effect of spin crossovers in d _n terms on the effective Hubbard parameter (U _eff) 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 d ⁵ ions, which is related to a decrease in U _eff caused by spin crossover. For other ions, the U _eff value is either independent of pressure (d ², d ⁴, d ⁷) or it exhibits nonmonotonic growth (d ³, d ⁶, d ⁸).