Mott transitions with partially-filled correlated orbitals

Abstract

We investigate the metal-insulator Mott transition in a generalized version of the periodic Anderson model, in which a band of itinerant electrons is hybridrized with a narrow and strongly correlated band. Using dynamical mean-field theory, we show that the precondition for a Mott transition is an integer total filling of the two bands, while for an integer constant occupation of the correlated band the system remains a correlated metal at arbitrary large interaction strength. We picture the transition at a non-integer filling of the correlated orbital as the Mott localization of the singlet states between itinerant and strongly interacting electrons, having occupation of one per lattice site. We show that the Mott transition is of the first-order and we characterize the nature of the resulting insulating state with respect to relevant physical parameters, such as the charge-transfer energy.

arXiv comment5 pages, 4 figures

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• Constraints on the total coupling strength to bosons in iron based superconductors
• DFT+DMFT study of oxygen vacancies in a Mott Insulator
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