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arXiv:2106.03296 · Physical review. B./Physical review. B

Doping-dependent metal-insulator transition in a disordered Hubbard model

Lingyu Tian, Yueqi Li, Ying Liang, Tianxing Ma

Published Jan 24, 2022• 8 citations
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Abstract

We study the effect of disorder and doping on the metal-insulator transition in a repulsive Hubbard model on a square lattice using the determinant quantum Monte Carlo method. First, with the aim of making our results reliable, we compute the sign problem with various parameters such as temperature, disorder, on-site interactions, and lattice size. We show that in the presence of randomness in the hopping elements, the metal-insulator transition occurs and the critical disorder strength differs at different fillings. We also demonstrate that doping is a driving force behind the metal-insulator transition.

DOI
10.1103/physrevb.105.045132

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We study the effect of disorder and doping on the metal-insulator transition in a repulsive Hubbard model on a square lattice using the determinant quantum Monte Carlo method. First, with the aim of making our results reliable, we compute the sign problem with various parameters such as temperature, disorder, on-site interactions, and lattice size. We show that in the presence of randomness in the hopping elements, the metal-insulator transition occurs and the critical disorder strength differs at different fillings. We also demonstrate that doping is a driving force behind the metal-insulator transition.
Using the determinant quantum Monte Carlo method, we investigate the metal-insulator transition in the interacting disordered Hubbard model of a Lieb lattice in which the system characterizes the flat band centered at the Fermi level. By choosing suitable electron densities, we ensure the weak interaction sign problem to improve the reliability of our results. It is found that disorder and on-site Coulomb repulsive interaction produce interesting effects that induce the metal-insulator transition which is impossible in the half-filled case. The density of states at the Fermi energy is still finite in the thermodynamic limit, suggesting that the system is an Anderson insulator rather than a Mott insulator. Moreover, this doping system is paramagnetic, unlike the half-filled system which is ferrimagnetic.
Using exact diagonalization and quantum Monte Carlo calculations we investigate the effects of disorder on the phase diagram of both noninteracting and interacting models of two-dimensional topological insulators. In the fermion sign problem-free interacting models we study, electron-electron interactions are described by an on-site repulsive Hubbard interaction and disorder is included via the one-body hopping operators. In both the noninteracting and interacting models we make use of recent advances in highly accurate real-space numerical evaluation of topological invariants to compute phase boundaries and in the noninteracting models determine critical exponents of the transitions. We find different models exhibit distinct stability conditions of the topological phase with respect to interactions and disorder. We provide a general analytical theory that accurately predicts these trends.
We derive the disorder vs doping phase diagram of the doped Hubbard model via dynamical mean-field theory combined with typical medium theory, which allows the description of both Mott (correlation driven) and Anderson (disorder driven) metal-insulator transitions. We observe a transition from a metal to an Anderson-Mott insulator for increasing disorder strength at all interactions. In the weak correlation regime and rather small doping, the Anderson-Mott insulator displays properties which are similar to the ones found at half filling. In particular, this phase is characterized by the presence of empty sites. If we further increase either the doping or the correlation, however, an Anderson-Mott phase of a different kind arises for sharply weaker disorder strength. This phase occupies the largest part of the phase diagram in the strong-correlation regime and is characterized by the absence of the empty sites.
In previous studies of the half-filled bilayer attractive Hubbard model [Prasad et al., Phys. Rev. A 89, 043605 (2014); Prasad, Phys. Rev. B 106, 184506 (2022)], it has been shown that the clean system has a band-insulator (BI) to superfluid (SF) quantum phase transition. In this paper, we append the effects of random on-site disorder on the kinetic energy, double occupancy, and the pair-pair correlations in the bilayer model. Using the determinant quantum Monte Carlo simulation, we observe that the on-site random disorder plays a significant role in the localization of on-site pairs, and hence in the reduction of the effective hopping. This results in an increase of the double occupancy, which is an effect that is similar to the attractive interaction. We find no change in the critical value of the interaction at which the model undergoes a transition from the BI to SF regime, even though the pair-pair correlations get suppressed for finite on-site disorder strengths Vd/t=0.1{V}_{d}/t=0.1Vd​/t=0.1--0.8. We also confirm that the weak-disorder suppresses the SF phase largely in the strong-coupling limit. Hence the region of the SF phase reduces in the presence of random on-site disorder. Finally, through finite-size scaling, we have estimated the critical disorder strength ${V}_{d}^{c}/t\ensuremath{\sim}1.44$ at ∣U∣/t=5|U|/t=5∣U∣/t=5.
Using finite-temperature determinantal quantum Monte Carlo simulations, we examine the thermodynamic properties of the extended Hubbard model on the half-filled square lattice in the Slater regime at intermediate coupling. We consider both the case of nearest-neighbor interactions and long-range Coulomb interactions, for coupling strengths in which the presence of nonlocal interactions still allows us to perform sign-problem free quantum Monte Carlo simulations. In particular, we assess a recently proposed scenario from variational calculations in terms of a first-order metal-insulator transition in this interaction regime.