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Bulletin of the American Physical Society

Mott and Band Insulator Transitions in the Binary Alloy Hubbard Model

A. Baldwin, Richard T. Scalettar, Norman Paris

Published Mar 5, 2007• 0 citations
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Correlated electrons in a binary alloy ${A}_{x}{B}_{1\ensuremath{-}x}$ are investigated within the Hubbard model and dynamical mean-field theory (DMFT). The random energies ${\ensuremath{\epsilon}}_{i}$ have a bimodal probability distribution and an energy separation $\ensuremath{\Delta}.$ We solve the DMFT equations by the numerical renormalization-group method at zero temperature and calculate the spectral density as a function of disorder strength $\ensuremath{\Delta}$ and interaction U at different fillings. For filling factors $\ensuremath{\nu}=x$ or $1+x$ the lower or upper alloy subband is half filled and the system becomes a Mott insulator at strong interactions, with a correlation gap at the Fermi level. At the metal-insulator transition hysteresis is observed. We also analyze the effective theory in the $\stackrel{\ensuremath{\rightarrow}}{\ensuremath{\Delta}}\ensuremath{\infty}$ limit and find good agreement between analytical and numerical results for the critical interaction ${U}_{c}$ at which the metal-insulator transition occurs.

arXiv:cond-mat/0309067•Physical Review B•Jan 29, 2004•47 citations
Strongly correlated fermions in a crystal or in an optical lattice in the presence of binary-alloy disorder are investigated. We employ the statistical dynamical mean-field theory, which incorporates both fluctuations due to disorder and local correlations due to interaction, to solve the Anderson-Hubbard model. Localization due to disorder is studied by means of the probability distribution function of the local density of states. We obtain a complete paramagnetic ground state phase diagram consisting of disordered correlated metal, Anderson-Mott insulator, and band insulator.
We use determinant quantum Monte Carlo simulations and exact diagonalization to explore insulating behavior in the Hubbard model with a bimodal distribution of randomly positioned local site energies. From the temperature dependence of the compressibility and conductivity, we show that gapped, incompressible Mott insulating phases exist away from half-filling when the variance of the local site energies is sufficiently large. The compressible regions around this Mott phase are metallic only if the density of sites with the corresponding energy exceeds the percolation threshold, but are Anderson insulators otherwise.
Correlated electrons in a binary alloy ${A}_{x}{B}_{1\ensuremath{-}x}$ are investigated within the Hubbard model and dynamical mean-field theory (DMFT). The random energies ${\ensuremath{\epsilon}}_{i}$ have a bimodal probability distribution and an energy separation $\ensuremath{\Delta}.$ We solve the DMFT equations by the numerical renormalization-group method at zero temperature and calculate the spectral density as a function of disorder strength $\ensuremath{\Delta}$ and interaction U at different fillings. For filling factors $\ensuremath{\nu}=x$ or 1+x1+x1+x the lower or upper alloy subband is half filled and the system becomes a Mott insulator at strong interactions, with a correlation gap at the Fermi level. At the metal-insulator transition hysteresis is observed. We also analyze the effective theory in the $\stackrel{\ensuremath{\rightarrow}}{\ensuremath{\Delta}}\ensuremath{\infty}$ limit and find good agreement between analytical and numerical results for the critical interaction Uc{U}_{c}Uc​ at which the metal-insulator transition occurs.