Moiré materials formed in two-dimensional semiconductor heterobilayers are quantum simulators of Hubbard-like physics with unprecedented electron-density and interaction-strength tunability. Compared to atomic scale Hubbard-like systems, electrons or holes in moiré materials are less strongly attracted to their effective lattice sites because these are defined by finite-depth potential extrema. As a consequence, non-local interaction terms like interaction-assisted hopping and intersite-exchange are more relevant. We theoretically demonstrate the possibility of tuning the strength of these coupling constants to favor unusual states of matter, including spin liquids, insulating ferromagnets, and superconductors.
The moiré Hubbard model describes correlations in certain homobilayer twisted transition metal dichalcogenides. Using exact diagonalization and density matrix renormalization group methods, we find magnetic Mott insulating and metallic phases, which, upon doping exhibit intertwined charge and spin ordering and, in some regimes, pair binding of holes. The phases are highly tunable via an interlayer potential difference. Remarkably, the hole binding energy is found to be highly tunable revealing an experimentally accessible regime where holes become attractive. In this attractive regime, we stud…
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…
We theoretically study a generalized Hubbard model on moiré superlattices of twisted bilayers, and find very rich filling-factor-dependent quantum phase diagrams tuned by interaction strength and twist angle. Strong long-range Coulomb interaction in the moiré-Hubbard model induces Wigner crystals at a series of fractional filling factors. The effective lattice of the Wigner crystal is controlled by the filling factor, and can be triangle, rectangle, honeycomb, kagome, etc, providing a single platform to realize many different spin models on various lattices by simply tuning carrier density. In…
Motivated by the realization of spin-valley Hubbard on triangular moiré superlattice in ABC trilayer graphene aligned with hexagon boron nitride (hBN) and possibly also in twisted transition metal dichalcogenide homobilayers, we study possible Mott insulating phases and pseudogap metals based on symmetry constraint and parton mean field theories. First we show that Luttinger constraint allows two distinct symmetric and featureless Fermi liquids when there is an inter-valley Hund's term breaking $SU(4)$ spin rotation. Especially, there exists a symmetric and featureless "pseudogap metal" with s…
Non-Hermitian Skin Effect Enhances Pairing Correlations in Moiré Hubbard Systems
Institute of Natural Sciences, Westlake Institute for Advanced Study（西湖高等研究院自然科学研究所）；Department of Physics, School of Science and Research Center for Industries of the Future, Westlake University（西湖大学理学院物理系及未来产业研究中心）；Greatwall Cigar Factory of China Tobacco Sichuan Industrial Co., Ltd.（四川中烟工业有限责任公司长城雪茄厂）；Southwestern University of Finance and Economics（西南财经大学）
Mott-Hubbard and Hund electron correlations have been realized thus far in separate classes of materials. Here, we show that a single moiré homobilayer encompasses both kinds of physics in a controllable manner. We develop a microscopic multiband model that we solve by dynamical mean-field theory to nonperturbatively address the local many-body correlations. We demonstrate how tuning with twist angle, dielectric screening, and hole density allows us to switch between Mott-Hubbard and Hund correlated states in a twisted WSe$_2$ bilayer. The underlying mechanism is based on controlling Coulomb-i…
When hexagonal boron nitride (hBN) and graphene are aligned at zero or small twist angle, a moiré structure is formed due to the small lattice constant mismatch between the two structures. In this work, we analyze magnetic ordering tendencies, driven by onsite Coulomb interactions, of encapsulated bilayer graphene (BG) forming a moiré structure with one (hBN-BG) or both hBN layers (hBN-BG-hBN), using the random phase approximation. The calculations are performed in a fully atomistic Hubbard model that takes into account all $π$-electrons of the carbon atoms in one moiré unit cell. We analyze t…
The Hubbard model, first formulated by physicist John Hubbard in the 1960s, is a simple theoretical model of interacting quantum particles in a lattice. The model is thought to capture the essential physics of high-temperature superconductors, magnetic insulators, and other complex emergent quantum many-body ground states. Although the Hubbard model is greatly simplified as a representation of most real materials, it has nevertheless proved difficult to solve accurately except in the one-dimensional case. Physical realization of the Hubbard model in two or three dimensions, which can act as qu…
A simple yet paradigmatic model for the interplay of strong electronic correlations and geometric frustration is the triangular lattice Hubbard model. Recently it was proposed that moiré structures of transition metal dichalcogenides can be used to simulate extended versions that include non-local density-density interactions. We study competing instabilities of interacting electrons in such an extended Hubbard model on the triangular lattice near a filling where the density of states has a Van Hove singularity. We employ a truncated-unity functional renormalization group approach to investiga…
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…
Moiré superlattices formed in two-dimensional semiconductor heterobilayers provide a new realization of Hubbard model physics in which the number of electrons per effective atom can be tuned at will. We report on an exact diagonalization study of the electronic properties of half-filled narrow moiré bands in which correlation strengths are varied by changing twist angles or interaction strengths. We construct a phase diagram for the bilayer, identifying where the metal-insulator phase transition occurs, estimating the sizes of the charge gaps in the insulating phase, and commenting on the natu…
The moiré superlattice formed by ABC stacked trilayer graphene aligned with a hexagonal boron nitride substrate (TG/h-BN) provides an interesting system where both the bandwidth and the topology can be tuned by an applied perpendicular electric field $D$ . Thus the TG/h-BN system can simulate both Hubbard model physics and nearly flat Chern band physics within one sample. We derive lattice models for both signs of $D$ (which controls the band topology) separately through explicit Wannier orbital construction and mapping of Coulomb interaction. When the bands are topologically trivial, we discu…
Extended strange metal and superconductivity in partially filled moiré Hubbard bands
Cornell University（康奈尔大学）；Max Planck Institute for the Structure and Dynamics of Matter（马普物质结构与动力学研究所）；Laboratory of Atomic and Solid State Physics, Cornell University（康奈尔大学原子与固态物理实验室）；Kavli Institute at Cornell for Nanoscale Science（康奈尔纳米科学卡弗里研究所）；University of Delaware（特拉华大学）；National Institute for Materials Science（日本国立材料研究所）
The interplay of charge, spin, lattice, and orbital degrees of freedom leads to a wide range of emergent phenomena in strongly correlated systems. In heterobilayer transition metal dichalcogenide moiré systems, recent observations of Mott insulators and generalized Wigner crystals are well described by triangular lattice single-orbital Hubbard models based on K-valley derived moiré bands. Richer phase diagrams, mapped onto multi-orbital Hubbard models, are possible with hexagonal lattices in $Γ$-valley derived moiré bands and additional layer degrees of freedom. Here we report the tunable inte…
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…
We introduce and study a minimum two-orbital Hubbard model on a triangular lattice, which captures the key features of both the trilayer ABC-stacked graphene-boron nitride heterostructure and twisted transition metal dichalcogenides in a broad parameter range. Our model comprises first- and second-nearest neighbor hoppings with valley-contrasting flux that accounts for trigonal warping in the band structure. For the strong-coupling regime with one electron per site, we derive a spin-orbital exchange Hamiltonian and find the semiclassical ground state to be a spin-valley density wave. We show t…
Transition metal dichalcogenide (TMD) moiré heterostructures provide an ideal platform to explore the extended Hubbard model1 where long-range Coulomb interactions play a critical role in determining strongly correlated electron states. This has led to experimental observations of Mott insulator states at half filling2-4 as well as a variety of extended Wigner crystal states at different fractional fillings5-9. Microscopic understanding of these emerging quantum phases, however, is still lacking. Here we describe a novel scanning tunneling microscopy (STM) technique for local sensing and manip…
Understanding the mechanism of high temperature (high Tc) superconductivity is a central problem in condensed matter physics. It is often speculated that high Tc superconductivity arises from a doped Mott insulator as described by the Hubbard model. An exact solution of the Hubbard model, however, is extremely challenging due to the strong electron-electron correlation. Therefore, it is highly desirable to experimentally study a model Hubbard system in which the unconventional superconductivity can be continuously tuned by varying the Hubbard parameters. Here we report signatures of tunable su…
Small-twist-angle transition metal dichalcogenide (TMD) heterobilayers develop isolated flat moiré bands that are approximately described by triangular lattice generalized Hubbard models [PhysRevLett.121.026402]. In this article we explore the metallic and insulating states that appear under different control conditions at a density of one-electron per moiré period, and the transitions between them. By combining fully self-consistent Hartree-Fock theory calculations with strong-coupling expansions around the atomic limit, we identify four different magnetic states and one nonmagnetic state nea…
We study the quantum many-body instabilities of interacting electrons with SU(2)$\times$SU(2) symmetry in spin and orbital degrees of freedom on the triangular lattice near van-Hove filling. Our work is motivated by effective models for the flat bands in hexagonal moiré heterostructures like twisted bilayer boron nitride and trilayer graphene-boron nitride systems. We consider an extended Hubbard model including onsite Hubbard and Hund's couplings, as well as nearest-neighbor exchange interactions and analyze the different ordering tendencies with the help of an unbiased functional renormaliza…
Motivated by the recent observation of correlated insulator states and unconventional superconductivity in twisted bilayer graphene, we study the dependence of electron correlations on the twist angle and reveal the existence of strong correlations over a narrow range of twist-angles near the magic angle. Specifically, we determine the on-site and extended Hubbard parameters of the low-energy Wannier states using an atomistic quantum-mechanical approach. The ratio of the on-site Hubbard parameter and the width of the flat bands, which is an indicator of the strength of electron correlations, d…
Bilayer Moiré structures are a highly tunable laboratory to investigate the physics of strongly correlated electron systems. Moiré transition metal dichalcogenides at low-energies, in particular, are believed to be described by a single narrow band Hubbard model on a triangular lattice with spin-orbit coupling. Motivated by recent experimental evidence for superconductivity in twisted bilayer materials, we investigate the possible superconducting pairings in a two-dimensional single band Rashba-Hubbard model. Using a random-phase approximation in the presence of nearest and next-nearest neighb…
Collective plasma excitations in moiré flat bands display unique properties reflecting strong electron-electron interactions and unusual carrier dynamics in these systems. Unlike the conventional two-dimensional plasmon modes, dispersing as $\sqrt{k}$ at low frequencies and plunging into particle-hole continuum at higher frequencies, the moiré plasmons pierce through the flat-band continuum and acquire a strong over-the-band character. Due to the complex structure of the moiré superlattice unit cell, the over-the-band plasmons feature several distinct branches connected through zone folding in…
Hidden antiferromagnetism, persistent valley fluctuations, and $U(6)$ crossovers in triangular-lattice M-point moiré materials via determinantal quantum Monte Carlo
University of Oxford（牛津大学）；Max-Planck-Institut für Physik Komplexer Systeme（马克斯·普朗克复杂系统物理研究所）
Topological Chiral Superconductivity in the Triangular-Lattice Hofstadter-Hubbard Model
The Hamburg Centre for Ultrafast Imaging and Institute for Quantum Physics, University of Hamburg（汉堡超快成像中心与量子物理研究所，汉堡大学）；Department of Physics and Astronomy, California State University Northridge（加州州立大学北岭分校物理与天文系）；Kavli Institute for Theoretical Physics, University of California, Santa Barbara（加州大学圣塔芭芭拉分校卡弗里理论物理研究所）；French American Center for Theoretical Science, CNRS, KITP, Santa Barbara（法国美国理论科学中心，法国国家科学研究中心，KITP，圣塔芭芭拉）；Canadian Institute for Advanced Research（加拿大高级研究院）
ABC-stacked trilayer graphene/hBN moiré superlattice (TLG/hBN) has emerged as a playground for correlated electron physics. We report spectroscopy measurements of dual-gated TLG/hBN using Fourier transformed infrared photocurrent spectroscopy. We observed a strong optical transition between moiré mini-bands that narrows continuously as a bandgap is opened by gating, indicating a reduction of the single particle bandwidth. At half-filling of the valence flat band, a broad absorption peak emerges at ~18 meV, indicating direct optical excitation across an emerging Mott gap. Similar photocurrent s…
Emergent Gauge Flux and Spin Ordering in Magnetized Triangular Spin Liquids: Applications to Hofstadter-Hubbard Model
International Center for Quantum Materials, School of Physics, Peking University（北京大学物理学院量子材料中心）；Beijing Key Laboratory of Quantum Devices, Peking University（北京大学北京量子器件重点实验室）；Collaborative Innovation Center of Quantum Matter（量子物质协同创新中心）
The Hofstadter-Hubbard model captures the physics of strongly correlated electrons in an applied magnetic field, which is relevant to many recent experiments on Moiré materials. Few large-scale, numerically exact simulations exists for this model. In this work, we simulate the Hubbard-Hofstadter model using the determinant quantum Monte Carlo (DQMC) algorithm. We report the field and Hubbard interaction strength dependence of charge compressibility, fermion sign, local moment, magnetic structure factor, and specific heat. The gross structure of magnetic Bloch bands and band gaps determined by …
Heterobilayer transition metal dichalcogenide (TMDC) moiré systems provide an ideal framework to investigate strongly correlated physics. Here we theoretically study bosonic many-body phases of excitons in moiré TMDCs. By using two moiré models and cluster mean-field theory, we reveal that, due to non-local Coulomb interactions, moiré excitons can feature exotic supersolid phases, i.e. superfluids of broken translational invariance, and correlated insulating states. The correlated phases exist at experimentally accessible temperatures and are tunable via the twist angle and exciton density.
Mixed-dimensional quantum Monte Carlo studies of M-point moiré materials
Rudolf Peierls Centre for Theoretical Physics, University of Oxford（牛津大学鲁道夫·佩尔斯理论物理中心）；Department of Physics, Princeton University（普林斯顿大学物理系）；Department of Physics, University of Science and Technology of China（中国科学技术大学物理系）；Donostia International Physics Center（多诺拉国际物理中心）；IKERBASQUE, Basque Foundation for Science（伊卡巴苏克，巴斯克科学基金会）；Laboratoire de Physique de l’Ecole normale supérieure, ENS, Université PSL, CNRS, Sorbonne Université, Université de Paris Cité（巴黎高等师范学院物理实验室，ENS，巴黎文理研究大学，法国国家科学研究中心，索邦大学，巴黎西岱大学）
The evolution of a Landau Fermi liquid into a nonmagnetic Mott insulator with increasing electronic interactions is one of the most puzzling quantum phase transitions in physics. The vicinity of the transition is believed to host exotic states of matter such as quantum spin liquids, exciton condensates and unconventional superconductivity. Semiconductor moiré materials realize a highly controllable Hubbard model simulator on a triangular lattice, providing a unique opportunity to drive a metal-insulator transition (MIT) via continuous tuning of the electronic interactions. Here, by electricall…
We introduce a new method to continuously map inhomogeneities of a moiré lattice and apply it to large-area topographic images we measure on open-device twisted bilayer graphene (TBG). We show that the variation in the twist angle of a TBG device, which is frequently conjectured to be the reason for differences between devices with a supposed similar twist angle, is about 0.08° around the average of 2.02° over areas of several hundred nm, comparable to devices encapsulated between hBN slabs. We distinguish between an effective twist angle and local anisotropy and relate the latter to heterostr…
