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Magnetic properties of the two-band Hubbard model with different bandwidths

Masahisa Koga, Akihisa Koga

Published Jan 1, 2009• 0 citations
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arXiv:1803.08008•Physical review. B./Physical review. B•Jul 2, 2018•5 citations
We investigate the ground-state properties of the one-dimensional two-band Hubbard model with different bandwidths. The density-matrix renormalization group method is applied to calculate the averaged electron occupancies nnn as a function of the chemical potential μμμ. Both at quarter and half fillings, "charge plateaux" appear in the nnn-μμμ plot, where dμ/dndμ/dndμ/dn diverges and the Mott insulating states are realized. To see how the orbital polarization in the one-quarter charge plateau develops, we apply the second-order perturbation theory from the strong-coupling limit at quarter filling. The resultant Kugel-Khomskii spin-orbital model includes a magneticmagneticmagnetic field coupled to orbital pseudo-spins. This field originates from the discrepancy between the two bandwidths and leads to a finite orbital pseudo-spin magnetization.
We investigate the infinite-dimensional two-orbital Hubbard model at arbitrary band fillings. By means of the self-energy functional approach, we discuss the stability of the metallic state in the systems with same and different bandwidths. It is found that the Mott insulating phases are realized at commensurate band fillings. Furthermore, it is clarified that the orbital selective Mott phase with one orbital localized and the other itinerant is stabilized even at fractional band fillings in the system with different bandwidths.
We study by dynamical mean-field theory the ground state of a quarter-filled Hubbard model of two bands with different bandwidths. At half-filling, this model is known to display an orbital selective Mott transition, with the narrower band undergoing Mott localization while the wider one being still itinerant. At quarter-filling, the physical behavior is different and to some extent reversed. The interaction generates an effective crystal field splitting, absent in the Hamiltonian, that tends to empty the narrower band in favor of the wider one, which also become more correlated than the former at odds with the orbital selective paradigm. Upon increasing the interaction, the depletion of the narrower band can continue till it empties completely and the system undergoes a topological Lifshitz transition into a half-filled single-band metal that eventually turns insulating. Alternatively, when the two bandwidths are not too different, a first order Mott transition intervenes before the Lifshitz's one. The properties of the Mott insulator are significantly affected by the interplay between spin and orbital degrees of freedom.