Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2006-03-21
The European Physical Journal B, Vol. 51, p. 523 (2006)
Physics
Condensed Matter
Strongly Correlated Electrons
15 pages, 17 figures
Scientific paper
10.1140/epjb/e2006-00248-0
The two-band Hubbard model involving subbands of different widths is investigated via finite-temperature exact diagonalization (ED) and dynamical mean field theory (DMFT). In contrast to the quantum Monte Carlo (QMC) method which at low temperatures includes only Ising-like exchange interactions to avoid sign problems, ED permits a treatment of Hund's exchange and other onsite Coulomb interactions on the same footing. The role of finite-size effects caused by the limited number of bath levels in this scheme is studied by analyzing the low-frequency behavior of the subband self-energies as a function of temperature, and by comparing with numerical renormalization group (NRG) results for an effective one-band model. For half-filled, non-hybridizing bands, the metallic and insulating phases are separated by an intermediate mixed phase with an insulating narrow and a bad-metallic wide subband. The wide band in this phase exhibits different degrees of non-Fermi-liquid behavior, depending on the treatment of exchange interactions. Whereas for complete Hund's coupling, infinite lifetime is found at the Fermi level, in the absence of spin-flip and pair-exchange, this lifetime becomes finite. Excellent agreement is obtained both with new NRG and previous QMC/DMFT calculations. These results suggest that-finite temperature ED/DMFT might be a useful scheme for realistic multi-band materials.
Costi Theo A.
Liebsch Ansgar
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