Suppression of Mott–Hubbard states and metal–insulator transitions in the two-band Hubbard model

Hague, J. P. (2005). Suppression of Mott–Hubbard states and metal–insulator transitions in the two-band Hubbard model. Journal of Physics: Condensed Matter, 17(8) pp. 1385–1397.

DOI: https://doi.org/10.1088/0953-8984/17/8/017

Abstract

I investigate band and Mott insulating states in a two-band Hubbard model, with the aim of understanding the differences between the idealized one-orbital model and the more realistic multi-band case. Using a projection ansatz I show that additional orbitals suppress the metal–insulator transition, leading to a critical coupling of approximately eight times the bare bandwidth. I also demonstrate the effects of orbital ordering, which hinder Mott–Hubbard states and open a bandgap. Since multi-band correlations are common in real materials, this work suggests that very strongly correlated band insulators may be more common than Mott–Hubbard insulators.

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