Inspired by recent experiments on bilayer 3He, we consider a bilayer Hubbard model on a triangular lattice. For appropriate model parameters, we observe a band-selective Mott transition at a critical chemical potential, mu_c, corresponding to the solidification of the fermions in the first layer. The growth of the effective mass on the metallic side (mu < mu_c) is cut off by a first order transition in which the first layer fermions drop out of the Luttinger volume and their spin degrees of freedom become locked in a spin singlet state. These results are obtained from a cluster dynamical mean-field calculation on an eight-site cluster with a quantum Monte Carlo cluster solver.
We use the bilayer twisted Hubbard model to study the low energy electronic structure of Sr3Ir2O7. Sr3Ir2O7 is suggested as a Mott insulator and described by the bilayer twisted pseudospin-1/2 model. The bilayer twists in Sr3Ir2O7 bring the intrinsic anisotropy and the system is no longer SU(2) invariant. The anisotropy selects an easy c-axis collinear antiferromagnetic magnetic structure at low temperatures which breaks the discrete Ising symmetry. The transverse spin excitations are gapped and the longitudinal one is weakly dispersive. We implement the bond-operator mean field calculation to…
Layered antiferromagnetic spin density wave (LAF) state is one of the plausible ground states of charge neutral Bernal stacked bilayer graphene. In this paper, we use determinant quantum Monte Carlo method to study the effect of the electric field on the magnetic order in bilayer Hubbard model on a honeycomb lattice. Our results qualitatively support the LAF ground state found in the mean field theory. The obtained magnetic moments, however, are much smaller than what are estimated in the mean field theory. As electric field increases, the magnetic order parameter rapidly decreases.
The interaction-driven insulator-to-metal transition has been reported in the ionic Hubbard model (IHM) for moderate interaction $U$, while its metallic phase only occupies a narrow region in the phase diagram. To explore the enlargement of the metallic regime, we extend the ionic Hubbard model to two coupled layers and study the interplay of interlayer hybridization $V$ and two types of intralayer staggered potentials $Δ$: one with the same (in-phase) and the other with a $π$-phase shift (anti-phase) potential between layers. Our determinant Quantum Monte Carlo (DQMC) simulations at lowest ac…
The single band, two dimensional Hubbard Hamiltonian has been extensively studied as a model for high temperature superconductivity. While Quantum Monte Carlo simulations within the dynamic cluster approximation are now providing considerable evidence for a d-wave superconducting state at low temperature, such a transition remains well out of reach of finite lattice simulations because of the "sign problem". We show here that a bilayer Hubbard model, in which one layer is electron doped and one layer is hole doped, can be studied to lower temperatures and exhibits an interesting signal of d-wa…
Yang's $η$ pairing operator is generalized to explore off-diagonal long-range order in the Hubbard bilayer with an arbitrary chemical potential. With this operator and a constraint condition on annihilation and creation operators, we construct explicitly eigenstates which possess simultaneously three kinds of off-diagonal long-range order, i.e., the intralayer one and the interlayer one for on-site pairing, and that for interlayer nearest-neighbor pairing. As in the simple Hubbard model there is also an SO(4) symmetry, with the the generators properly defined. A sufficient condition leads to a…
We studied the possibility of exciton condensation in a strongly correlated bilayer extended Hubbard model using Determinant Quantum Monte Carlo. To model both the onsite repulsion U and the interlayer interaction V we introduced a novel update scheme extending the standard Sherman-Morrison update. We observe that the sign problem increases dramatically with the inclusion of the interlayer interaction V, which prohibits at this stage a unequivocal conclusion regarding the presence of exciton condensation. However, enhancement of the interlayer tunneling results suggest that the strongest excit…
The bilayer Hubbard model with electron-hole doping is an ideal platform to study excitonic orders due to suppressed recombination via spatial separation of electrons and holes. However, suffering from the sign problem, previous quantum Monte Carlo studies could not arrive at an unequivocal conclusion regarding the presence of phases with clear signatures of excitonic condensation in bilayer Hubbard models. Here, we develop a determinant quantum Monte Carlo (DQMC) algorithm for the bilayer Hubbard model that is sign-problem-free for equal and opposite doping in the two layers, and study excito…
We use finite temperature strong coupling expansions to calculate thermodynamic properties of the Honeycomb-lattice SU(4) Hubbard model. We present numerical results for various properties including chemical potential, compressibility, entropy and specific heat as a function of temperature and density at several $U/t$ values. We study the onset of charge incompressibility and Mott gaps as the temperature is lowered at integer densities. In the incompressible Mott regime, the expansions are recast into a high temperature expansion for a generalized spin model with SU(4) symmetry, which is then …
Using large-scale quantum Monte Carlo simulations, we exactly solve a model of Fermions hopping on the honeycomb lattice with cluster charge interactions, which has been proposed as an effective model with possible application to twisted bilayer graphene near half-filling. We find an interaction driven semimetal to insulator transition to an insulating phase consisting of a valence bond solid with Kekulé pattern. Finite size scaling reveals that the phase transition of the semimetal to Kekulé valence bond solid phase is continuous and belongs to chiral XY universality class.
The hardcore extended Bose Hubbard model on a bilayer square lattice with attractive (repulsive) interplane (intraplane) interactions has been investigated numerically. Focusing on the strong interplane hopping parameter regime, triplet valence bonds of dimers are stabilized to form valence bond checkerboard solid at quarter filling. Increasing the particle number we confirm, for the first time, the presence of the exotic valence bond supersolid phase, where the valence bond solid ordering and the boson superfluidity coexist. Rising further the particle number will lead to a checkerboard solid…
Moiré materials with flat electronic bands provide a highly controllable quantum system for studies of strong-correlation physics and topology. In particular, angle-aligned heterobilayers of semiconducting transition metal dichalcogenides (TMDs) with large band offset realize the single-band Hubbard models. Introduction of a new layer degree of freedom is expected to foster richer interactions, enabling Hund's physics, interlayer exciton condensation and new superconducting pairing mechanisms to name a few. Here, we report competing electronic orders in twisted AB-homobilayer WSe2, which reali…
Fully occupied or unoccupied bands in a solid are often considered inert and irrelevant to a material's low-energy properties. But the discovery of enhanced superconductivity in heavily electron-doped FeSe-derived superconductors poses questions about the possible role of incipient bands (those laying close to but not crossing the Fermi level) in pairing. To answer this question, researchers have studied pairing correlations in the bilayer Hubbard model, which has an incipient band for large interlayer hopping $t_\perp$, using many-body perturbation theory and variational methods. They have ge…
The ground state phase diagram of the half-filled repulsive Hubbard model in a bilayer is investigated using cluster dynamical mean field theory. For weak to intermediate values of Coulomb repulsion $U$, the system undergoes a transition from a Mott insulating phase to a metallic phase and then onto a band insulating phase as the interlayer hopping is increased. In the strong coupling case, the model exhibits a direct crossover from a Mott insulating phase to a band insulating phase. These results are robust with respect to the presence or absence of magnetic order.
Twisted bilayer transition metal dichalcogenides have emerged as important model systems for the investigation of correlated electron physics because their interaction strength, carrier concentration, band structure, and inversion symmetry breaking are controllable by device fabrication, twist angle, and most importantly, gate voltage, which can be varied in situ. The low energy physics of some of these materials has been shown to be described by a "moiré Hubbard model" generalized from the usual Hubbard model by the addition of strong, tunable spin orbit coupling and inversion symmetry breaki…
Using a combination of quantum Monte Carlo simulations, functional renormalization group calculations and mean-field theory, we study the Hubbard model on the Bernal-stacked honeycomb bilayer at half-filling as a model system for bilayer graphene. The free bands consisting of two Fermi points with quadratic dispersions lead to a finite density of states at the Fermi level, which triggers an antiferromagnetic instability that spontaneously breaks sublattice and spin rotational symmetry once local Coulomb repulsions are introduced. Our results reveal an inhomogeneous participation of the spin mo…
We calculate the bipartite \Renyi entanglement entropy of an $L\times L\times 2$ bilayer Hubbard model using a determinantal quantum Monte Carlo method recently proposed by Grover [Phys. Rev. Lett. {\bf 111}, 130402 (2013)]. Two types of bipartition are studied: (i) One that divides the lattice into two $L \times L$ planes, and (ii) One that divides the lattice into two equal-size ($L\times L/2\times 2$) bilayers. We compare our calculations with those for the tight-binding model studied by the correlation matrix method. As expected, the entropy for bipartition (i) scales as $L^2$, while the l…
We study the twisted Hubbard model of a cuprate bilayer at a fixed twist angle $θ=53.13^{\circ}$ using the variational cluster approximation, a method that treats short-range dynamical correlations exactly. At intermediate interlayer tunneling, the phase difference $ϕ$ between the $d$-wave order parameters of two layers is $π$ in the overdoped regime, while it is zero in the underdoped regime, close to the Mott phase. At strong interlayer tunneling, we observe a clear time-reversal symmetry breaking phase near optimal doping, in which the phase difference $ϕ$ changes continuously from 0 to $π$…
We implement a self-consistent Hartree-Fock approximation based on a microscopic model in real space, which allows us to consider the interplay between the Hubbard and the extended Coulomb interaction in twisted bilayer graphene at the magic angle. These two interactions tend to favor different symmetry breaking patterns, having therefore complementary roles in the regimes where one or the other dominates. We show that, for sufficiently large values of the on-site Hubbard repulsion, magic angle graphene has an antiferromagnetic ground state at the charge neutrality point, while at half-filling…
Layered quasi two dimensional systems have garnered huge interest both in the advancement of technology and in understanding emergent physics such as unconventional superconductivity, topological phases. In particular, the study of topological properties in some bilayer systems like transition metal chalcogenides and iridates has been the point of attraction due to comparatively strong spin orbit coupling of transition metal ions. In this paper, we analyze the topological phases induced by the interplay of electron correlation and spin orbit coupling in different stacking orders of bilayer hon…
We study by the Gutzwiller approximation the melting of the valence bond crystal phase of a bilayer Hubbard model at sufficiently large inter-layer hopping. We find that a superconducting domain, with order parameter $d_{z^2-r^2}$, $z$ being the inter-layer direction and $r$ the intra-layer one, is stabilized variationally close to the half-filled non-magnetic Mott insulator. Superconductivity exists at half-filling just at the border of the Mott transition and extends away from half-filling into a whole region till a critical doping, beyond which it gives way to a normal metal phase. This res…
We study the Hubbard model on the AB-stacked bilayer honeycomb lattice with a repulsive onsite interaction U in second order perturbation theory and in self-consistent random phase approximation. We determine the changes in the antiferromagnetic magnetic ordering tendencies due to the real and imaginary parts of the selfenergy at the band crossing points. In particular we present an estimate for the threshold value U* below which the magnetic order is endangered by the splitting of the quadratic band touching points into four Dirac points by an interaction-induced interlayer skew hopping. For …
Inspired by recent experiments on 3He films between one and two atoms thick, we consider a bilayer Hubbard model on a triangular lattice. Our results are obtained in the framework of a cluster dynamical mean-field calculation with a quantum Monte Carlo impurity solver. For appropriate model parameters, we observe an enhancement of the effective mass as the first layer approaches integer filling and the second remains only partially filled. At finite temperatures, this increase of the effective mass -- or, equivalently, the decrease of the coherence temperature -- leads to a crossover to a stat…
We study the Hubbard model on the frustrated honeycomb lattice with nearest-neighbor $t_1$ and second nearest-neighbor hopping $t_2$, which is isomorphic to the bilayer triangle lattice, using the SU(2)-invariant slave boson theory. We show that the Coulomb interaction $U$ induces antiferromagnetic (AF) chiral spin-density wave ($χ$-SDW) order in a wide range of $κ=t_2/t_1$ where both the two-sublattice AF order at small $κ$ and the decoupled three-sublattice 120$^\circ$ order at large $κ$ are strongly frustrated, leading to three distinct phases with different anomalous Hall responses. We fin…
We present a theoretical study of single-particle and many-body properties of twisted bilayer WSe$_2$. For single-particle physics, we calculate the band topological phase diagram and electron local density of states (LDOS), which are found to be correlated. By comparing our theoretical LDOS with those measured by scanning tunneling microscopy, we comment on the possible topological nature of the first moiré valence band. For many-body physics, we construct a generalized Hubbard model on a triangular lattice based on the calculated single-particle moiré bands. We show that a layer potential di…
The bilayer Hubbard model with an intra-layer hopping $t$ and an inter-layer hopping $t_\perp$ provides an interesting testing ground for several aspects of what has been called unconventional superconductivity. One can study the type of pair structures which arise when there are multiple Fermi surfaces. One can also examine the pairing for a system in which the structure of the spin-fluctuation spectral weight can be changed. Using a dynamic cluster quantum Monte Carlo approximation, we find that near half-filling, if the splitting between the bonding and anti-bonding bands $t_\perp/t$ is sma…
The relationship between crystal structures and superconducting critical temperatures has attracted considerable attention as a clue to designing higher-$T_{\rm c}$ superconductors. In particular, the relationship between the number $n$ of CuO$_2$ layers in a unit cell of cuprate superconductors and the optimum superconducting transition temperature $T_{\rm c}^{\rm opt}$ is intriguing. As experimentally observed in layered cuprates, $T_{\rm c}^{\rm opt}$ increases when $n$ is increased, up to $n=3$, and, then, decreases for larger $n$. However, the mechanism behind the $n$ dependence of $T_{\r…
The bilayer Hubbard model describes the antiferromagnet to spin singlet transition and, potentially, aspects of the physics of unconventional superconductors. Despite these important applications, significant aspects of its `phase diagram' in the interplane hopping $t_\perp$ versus on-site interaction $U$ parameter space, at half filling, are largely in disagreement. Here we provide an analysis making use of the average sign of weights over the course of the importance sampling in quantum Monte Carlo simulations to resolve several central open questions. Specifically, this metric of the weight…
We study the spin-fluctuation-mediated $s\pm$-wave superconductivity in the bilayer Hubbard model with vertical and diagonal interlayer hoppings. As in the two-leg ladder model with diagonal hoppings, studied previously by the present authors, superconductivity is strongly enhanced when one of the bands lies just below (or touches) the Fermi level, that is, when the band is incipient. The strong enhancement of superconductivity is because large weight of the spin fluctuations lies in an appropriate energy range, whereas the low energy, pair-breaking spin fluctuations are suppressed. The optimi…
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 on 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…
We investigate the phase diagram of the square lattice bilayer Hubbard model at half filling with the variational Monte Carlo method for both the magnetic and the paramagnetic case as a function of interlayer hopping t_perp and on-site Coulomb repulsion U. With this study we resolve some discrepancies in previous calculations based on the dynamical mean field theory, and we are able to determine the nature of the phase transitions between metal, Mott insulator and band insulator. In the magnetic case we find only two phases: An antiferromagnetic Mott insulator at small t_perp for any value of …
We investigate the nature of the insulating phases in a bilayer Hubbard model with intralayer coupling $t$ and interlayer coupling $t_{\perp}$ at large interaction strength $U/t$ and half-filling. We consider a dynamical cluster approximation with a cluster size of $N_c=2\times4$, where short-range spatial fluctuations as well as on-site dynamical fluctuations are emphasized. By varying the band splitting ($t_{\perp}/t$), we find that at $t_{\perp}/t\simeq1.5$ the Mott behavior is rapidly suppressed in the momentum sectors ($π,0$) and ($0,π$). At $t_{\perp}/t\simeq2.5$ Mott features dominate i…
A phase diagram of two Mott-Hubbard planes interacting with a short-range Coulomb repulsion is presented. Considering the case of equal amount of doping by holes in one layer as electrons in the other, a holon-doublon inter-layer exciton formation is shown to be a natural consequence of Coulomb attraction. Quasiparticle spectrum is gapped and incoherent below a critical doping $δ_c$ due to the formation of excitons. A spin liquid insulator (SLI) phase is thus realized without the lattice frustration. The critical value $δ_{c}$ sensitively depends on the inter-layer interaction strength. In the…
Charge stripe and superconductivity tuned by interlayer interaction in a sign-problem-free bilayer extended Hubbard model
School of Physics and Astronomy, Beijing Normal University（北京师范大学物理与天文学院）；Key Laboratory of Multiscale Spin Physics(Ministry of Education), Beijing Normal University（北京师范大学多尺度自旋物理教育部重点实验室）；School of Physics and Institute for Advance Study in Physics, Zhejiang University（浙江大学物理学院及物理高等研究院）
Interacting many-body systems combining confined and extended dimensions, such as ladders and few layer systems are characterized by enhanced quantum fluctuations, which often result in interesting collective properties. Recently two-dimensional bilayer systems, such as twisted bilayer graphene or ultracold atoms, have sparked a lot of interest because they can host rich phase diagrams, including unconventional superconductivity. Here we present a theoretical proposal for realizing high temperature pairing of fermions in a class of bilayer Hubbard models. We introduce a general, highly efficie…
Superconducting landscape of the strongly correlated bilayer Hubbard model
Graduate School of Engineering, Kyushu Institute of Technology（九州工业大学工学研究科）；Department of Material Science, University of Hyogo（兵库大学物质科学系）；Institute for Materials Research (IMR), Tohoku University（东北大学材料科学研究所）；International Quantum Materials Center (Q 2 ), Advanced Institute for Materials Research (WPI-AIMR), Tohoku University（东北大学先进材料研究机构国际量子材料中心）；Physics Division, Sophia University（上智大学物理学部）；RIKEN Center for Emergent Matter Science (CEMS)（理化学研究所新兴物质科学中心）；Department of Physics, The University of Tokyo（东京大学物理学系）
