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arXiv:1810.02505 · Physical review. B./Physical review. B

Phase transitions in the binary-alloy Hubbard model: Insights from strong-coupling perturbation theory

Elaheh Adibi, Alireza Habibi, S. A. Jafari

Published Jan 7, 2019• 5 citations
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Abstract

In the binary alloy with composition ${A}_{x}{B}_{1\ensuremath{-}x}$ of two atoms with ionic energy scales $\ifmmode\pm\else\textpm\fi{}\mathrm{\ensuremath{\Delta}}$, an apparent Anderson insulator (AI) is obtained as a result of randomness in the position of atoms. Using our recently developed technique that combines the local self-energy from strong-coupling perturbation theory with the transfer matrix method, we are able to address the problem of adding a Hubbard $U$ to the binary-alloy problem for millions of lattice sites on the honeycomb lattice. By adding the Hubbard interaction $U$, the resulting AI phase will become metallic, which in our formulation can be manifestly attributed to the screening of disorder by Hubbard $U$. Upon further increase in $U$, again the AI phase emerges, which can be understood in terms of the suppressed charge fluctuations due to residual Hubbard interaction. The randomness takes advantage of such suppression and localizes the quasiparticles of the metallic phase. The ultimate destiny of the system at very large $U$ is to become a Mott insulator. We construct the phase diagram of this model in the plane of $(U,\mathrm{\ensuremath{\Delta}})$ for various compositions $x$.

DOI
10.1103/physrevb.99.014204

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In the binary alloy with composition AxB1\ensuremath−x{A}_{x}{B}_{1\ensuremath{-}x}Ax​B1\ensuremath−x​ of two atoms with ionic energy scales \ifmmode±\else\textpm\fi\ensuremathΔ\ifmmode\pm\else\textpm\fi{}\mathrm{\ensuremath{\Delta}}\ifmmode±\else\textpm\fi\ensuremathΔ, an apparent Anderson insulator (AI) is obtained as a result of randomness in the position of atoms. Using our recently developed technique that combines the local self-energy from strong-coupling perturbation theory with the transfer matrix method, we are able to address the problem of adding a Hubbard UUU to the binary-alloy problem for millions of lattice sites on the honeycomb lattice. By adding the Hubbard interaction UUU, the resulting AI phase will become metallic, which in our formulation can be manifestly attributed to the screening of disorder by Hubbard UUU. Upon further increase in UUU, again the AI phase emerges, which can be understood in terms of the suppressed charge fluctuations due to residual Hubbard interaction. The randomness takes advantage of such suppression and localizes the quasiparticles of the metallic phase. The ultimate destiny of the system at very large UUU is to become a Mott insulator. We construct the phase diagram of this model in the plane of (U,\ensuremathΔ)(U,\mathrm{\ensuremath{\Delta}})(U,\ensuremathΔ) for various compositions xxx.
We study the Anderson disordered Hubbard model on the honeycomb lattice. The Hubbard term is handled with strong-coupling perturbation theory which encodes the information about Mott transition physics into a rich dynamical local self-energy. The local nature of the self-energy allows us to combine it with kernel polynomial and transfer matrix methods which consequently enables us to study lattices with millions of sites. The transfer matrix method, which in the ribbon geometry is essentially free from finite-size errors, can be employed to perform finite-size scaling on the width of the ribbon. This enables us to rule out the possibility of metallic phase between the Mott and Anderson insulating phases which has been claimed in the literature. Therefore, we find a direct transition between Anderson and Mott insulators when the disorder strength WWW is comparable to the Hubbard interaction UUU. For a fixed disorder strength WWW, we obtain an interaction-dependent nonmonotonic behavior of the localization length which reflects the interaction-induced enhancement of the localization length for weak and intermediate interaction strengths. Eventually, at strong interactions UUU, the Mott localization takes over, and the localization length becomes comparable to the lattice scale. This phenomenon is reminiscent of the holographic determination of the Mott state where the system at infrared recognizes its ultraviolet lattice scale.
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.
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.
Phase transitions in the Hubbard model and ionic Hubbard model at half-filling on the honeycomb lattice are investigated in the strong-coupling perturbation theory which corresponds to an expansion in powers of the hopping ttt around the atomic limit. Within this formulation we find analytic expressions for the single-particle spectrum, whereby the calculation of the insulating gap is reduced to a simple root finding problem. This enables high-precision determination of the insulating gap that does not require any extrapolation procedure. The critical value of Mott transition on the honeycomb lattice is obtained to be ${U}_{c}\ensuremath{\approx}2.38t$. Studying the ionic Hubbard model at the lowest order, we find two insulating states, one with Mott character at large UUU and another with single-particle gap character at large ionic potential $\mathrm{\ensuremath{\Delta}}$. The present approach gives a critical gapless state at $U=2\mathrm{\ensuremath{\Delta}}$ at lowest order. By systematically improving on the perturbation expansion, the density of states around this critical gapless phase reduces.
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.
We study the interplay of disorder localization and strong local interactions within the Anderson-Hubbard model. Taking into account local Mott-Hubbard physics and static screening of the disorder potential, the system is mapped onto an effective single-particle Anderson model, which is studied within the self-consistent theory of electron localization. For fermions, we find rich nonmonotonic behavior of the localization length ξ, particularly in two-dimensional systems, including an interaction-induced exponential enhancement of ξ for small and intermediate disorders and a strong reduction of ξ due to hopping suppression by strong interactions. In three dimensions, we identify for half filling a Mott-Hubbard-assisted Anderson localized phase existing between the metallic and the Mott-Hubbardgapped phases. For small U there is re-entrant behavior from the Anderson localized phase to the metallic phase. For bosons, the unrestricted particle occupation number per lattice site yields a monotonic enhancement of ξ as a function of decreasing interaction, which we assume to persist until the superfluid Bose- Einstein condensate phase is entered. Besides, we study cold atomic gases expanding, by a diffusion process, in a weak random potential. We show that the density-density correlation function of the expanding gas is strongly affected by disorder and we estimate the typical size of a speckle spot, i.e., a region of enhanced or depleted density. Both a Fermi gas and a Bose-Einstein condensate (in a mean-field approach) are considered.