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arXiv:cond-mat/0506138

Comment on: "Orbital-selective Mott transitions in the anisotropic two-band Hubbard model at finite temperatures" by C. Knecht, N. Bluemer, and P. G. J. van Dongen, cond-mat/0505106

A. Liebsch

Published Jun 6, 2005• 0 citations
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Abstract

A detailed comparison of QMC/DMFT results for the non-isotropic two-band Hubbard model by Liebsch [Phys. Rev. B 70, 165103 (2004)] and C. Knecht, N. Bluemer, and P. G. J. van Dongen [cond-mat/0505106 (submitted to Phys. Rev. Lett.)] is given. Both results are shown to be in excellent agreement. Thus, the claims by Knecht et al.: ``The second transition [was] not seen in earlier studies using QMC and IPT'' and ``Our high-precision data correct earlier QMC results by Liebsch'' are shown to be unfounded.

DOI
10.48550/arxiv.cond-mat/0506138

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A detailed comparison of QMC/DMFT results for the non-isotropic two-band Hubbard model by Liebsch [Phys. Rev. B 70, 165103 (2004)] and C. Knecht, N. Bluemer, and P. G. J. van Dongen [cond-mat/0505106 (submitted to Phys. Rev. Lett.)] is given. Both results are shown to be in excellent agreement. Thus, the claims by Knecht et al.: The second transition [was] not seen in earlier studies using QMC and IPT'' and Our high-precision data correct earlier QMC results by Liebsch'' are shown to be unfounded.
In a Comment [cond-mat/0506138] on our recent e-print [cond-mat/0505106] Liebsch claimed "excellent correspondence" between our high-precision quantum Monte-Carlo (QMC) data for the anisotropic two-band Hubbard model with Ising type exchange couplings and his earlier QMC results. Liebsch also claimed that the sequence of two orbital-selective Mott transitions, identified by us in this model, had already been reported in his earlier work. Here we demonstrate that both claims are incorrect. We establish that Liebsch's previous QMC estimates for the quasiparticle weight Z have relative errors exceeding 100% near transitions and cannot be used to infer the existence of a second Mott transition (for U_{c2}~2.5). We further show that Liebsch's attribution of our findings to his own earlier work is disproved by the published record. Consequently, the Comment is unwarranted; all results and formulations of our e-print remain valid.
The anisotropic degenerate two-orbital Hubbard model is studied within dynamical mean-field theory at low temperatures. High-precision calculations on the basis of a refined quantum Monte Carlo (QMC) method reveal that two distinct orbital-selective Mott transitions occur for a bandwidth ratio of 2, even in the absence of spin-flip contributions to the Hund exchange. The second transition---not seen in earlier studies using QMC, iterative perturbation theory, and exact diagonalization---is clearly exposed in a low-frequency analysis of the self-energy and in local spectra.
Abstract Using high‐precision quantum Monte Carlo (QMC) simulations within the framework of dynamical mean field theory (DMFT), we show that the anisotropic degenerate two‐orbital Hubbard model contains two consecutive orbital‐selective Mott transitions (OSMTs) even in the absence of spin‐flip terms and pair‐hopping processes. In order to reveal the second transition we carefully analyze the low‐frequency part of the self‐energy and the local spectral functions. This paper extends our previous work to lower temperatures. We discuss the nature – in particular the order – of both Mott transitions and list various possible extensions. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
We extend previous studies on orbital-selective Mott transitions in the paramagnetic state of the half-filled degenerate two-band Hubbard model to the general doped case, using a high-precision quantum Monte Carlo dynamical mean-field theory solver. For sufficiently strong interactions, orbital-selective Mott transitions as a function of total band filling are clearly visible in the band-specific fillings, quasiparticle weights, double occupancies, and spectra. The results are contrasted with those of single-band models for similar correlation strengths.