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arXiv:2309.05243 · Physical review. B./Physical review. B

Interplay of disorder and interactions in the bilayer band insulator: A determinant quantum Monte Carlo study

Yogeshwar Prasad, Hunpyo Lee

Published Feb 14, 2024• 3 citations
arXivHTMLPDF

Abstract

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 ${V}_{d}/t=0.1$--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 $|U|/t=5$.

DOI
10.1103/physrevb.109.064506

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We perform the finite-temperature determinant quantum Monte Carlo simulation for the attractive Hubbard model on the half-filled bilayer square lattice. Recent progress on optical lattice experiments lead us to investigate various single-particle properties such as momentum distribution and double occupancies which should be easily measured in cold-atom experiments. The pair-pair and the density-density correlations have been studied in detail and, through finite-size scaling, we show that there is no competing charge density wave order in the bilayer band-insulator model and that the superfluid phase is the stable phase for the interaction range ∣U∣/t=5−−10|U|/t=5--10∣U∣/t=5−−10. We show the existence of two energy scales in the system as we increase the attractive interaction, one governing the phase coherence and the other one corresponding to the molecule formation. In the end, we map out the full $T\ensuremath{-}U$ phase diagram and compare the Tc{T}_{c}Tc​ obtained through the mean-field analysis. We observe that the maximum Tc/t(=0.27){T}_{c}/t(=0.27)Tc​/t(=0.27) occurs for ∣U∣/t=6|U|/t=6∣U∣/t=6, which is roughly twice the reported Tc{T}_{c}Tc​ of the single-layer attractive Hubbard model.
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We study the attractive fermionic Hubbard model on a honeycomb lattice using determinantal quantum Monte Carlo simulations. By increasing the interaction strength UUU (relative to the hopping parameter ttt) at half filling and zero temperature, the system undergoes a quantum phase transition at 5.0<Uc/t<5.15.0<{U}_{c}/t<5.15.0<Uc​/t<5.1 from a semimetal to a phase displaying simultaneously superfluid behavior and density order. Doping away from half filling, and increasing the interaction strength at finite but low temperature TTT, the system always appears to be a superfluid exhibiting a crossover between a BCS and a molecular regime. These different regimes are analyzed by studying the spectral function. The formation of pairs and the emergence of phase coherence throughout the sample are studied as UUU is increased and TTT is lowered.
Employing a combination of functional renormalization group calculations and projective determinantal quantum Monte Carlo simulations, we examine the Hubbard model on the square lattice bilayer at half filling. From this combined analysis, we obtain a comprehensive account of the ground-state phase diagram with respect to the extent of the system's metallic and (antiferromagnetically ordered) Mott-insulating as well as band-insulating regions. By means of an unbiased functional renormalization group approach, we exhibit the antiferromagnetic Mott-insulating state as the relevant instability of the free metallic state, induced by any weak finite on-site repulsion. Upon performing a careful analysis of the quantum Monte Carlo data, we resolve the difficulty of identifying this antiferromagnetic ground state for finite interlayer hopping in the weak-coupling regime, where nonmonotonic finite-size corrections are shown to relate to the two-sheeted Fermi surface structure of the metallic phase. On the other hand, quantum Monte Carlo simulations are well suited to identify the transition between the Mott-insulating phase and the band insulator in the intermediate-to-strong coupling regime. Here, we compare our numerical findings to indications for the transition region obtained from the functional renormalization group procedure.
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.
Studies of systems with two fermionic bands (or equivalently, layers) with repulsive interaction strength U have a long history, with the periodic Anderson model (PAM) being one of the most frequently considered Hamiltonians. In this paper, we use quantum Monte Carlo to study analogous issues for attractive interactions. As in the PAM, we focus on a case where one band (layer) is uncorrelated ( U = 0), and the effect of hybridization V between the bands (layers) on the pairing correlations. A key difference with the PAM is that there is no sign problem, so that we are better able to explore the physics of doped bilayer attractive systems at low temperatures (except in the case of exponentially small transition temperatures) whereas ground state properties of repulsive models can be determined only at half-filling. For small V , pairing in the U < 0 layer induces pairing in the U = 0 layer. At larger V superfluidity is suppressed at the low but finite T at which the quantum Monte Carlo was performed. The quantum Monte Carlo data are complemented by results obtained with the Bogoliubov–de Gennes approximation.