4.6 Article

Spin-crossover-induced Mott transition and the other scenarios of metallization in 3dn metal compounds

Journal

PHYSICAL REVIEW B
Volume 79, Issue 8, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.085125

Keywords

bismuth compounds; Hubbard model; localised states; metal-insulator transition; metallisation; spin systems

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A different Hubbard energy control mechanism of the insulator-metal transition (IMT) in Mott-Hubbard insulators is discussed. This mechanism can be initiated by the lattice compression and it is driven by a spin crossover of 3d(5) ions from the high-spin state to the low-spin state. The spin crossover suppresses the effective Hubbard parameter U-eff down to the value enabling the insulator-metal transition according to the Mott mechanism U-eff/W approximate to 1. The classification of possible scenarios of metallization in the other 3d(n) metal compounds is also performed.

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