Motivated by twisted transition metal dichalcogenides (TMDs), we study an extended Hubbard model with both on-site and off-site repulsive interactions, in which Mott insulating states with concomitant charge order occur at fractional fillings. To resolve the charge ordering as well as the fate of the local moments formed thereby, we perform large-scale density matrix renormalization group calculations on cylindrical geometries for several filling fractions and ranges of interaction strength. Depending on the precise parameter regime, both antiferromagnetically ordered as well as quantum-disordered states are found, with a particularly prominent example being a quantum spin liquid-type ground state on top of charge-ordering with effective Kagomé geometry. We discuss the different mechanisms at play in stabilizing various electronic and magnetic states. The results suggest that moiré TMDs are a promising venue for emergent quantum magnetism of strongly interacting electrons.
We propose a phenomenological understanding of the recently discovered weak Mott insulator in the moiré superlattice of twisted bilayer graphene, especially the emergent superconductivity at low temperature within the weak Mott insulator phase, namely while lowering temperature, the longitudinal resistivity first grows below temperature $T_m$, but then rapidly drops to zero at even lower temperature $T_c$. An emergent superconductor in an insulator phase is very unusual. Here we propose that this phenomenon is due to the pure two-dimensional nature of the bilayer graphene moiré superlattice. W…
Moiré bilayer materials have recently attracted much attention following the discovery of various correlated insulating states at specific band fillings. Here we discuss the metal-insulator transitions (MITs) that have been observed in the same devices, but at fillings far from the strongly correlated regime dominated by Mott-like physics, displaying many similarities to other examples of disorder-dominated MITs. We propose a minimal theoretical model describing the interplay of interactions and disorder, which able to capture most experimental trends observed on several devices.
We theoretically consider two-dimensional moiré transition metal dichalcogenide (TMD) bilayers, which are strongly correlated in the sense that the on-site Coulomb interaction is comparable to or larger than the hopping kinetic energy between the moiré lattice sites. The system accommodates many symmetry-broken ground states both in charge and isospin sectors at various commensurate rational fillings such as 1/2, 1/3, 1/4, 2/3, etc. We investigate two complementary important aspects of the dependence of the symmetry breaking on (1) the range of the electron-electron interaction, which can in p…
We propose moiré bilayer as a platform where exotic quantum phases can be stabilized and electrically detected. Moiré bilayer consists of two separate moiré superlattice layers coupled through the inter-layer Coulomb repulsion. In the small distance limit, an SU(4) spin can be formed by combining layer pseudospin and the real spin. As a concrete example, we study an SU(4) spin model on triangular lattice in the fundamental representation. By tuning a three-site ring exchange term $K\sim \frac{t^3}{U^2}$, we find SU(4) symmetric crystallized phase and an SU(4)$_1$ chiral spin liquid (CSL) at th…
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…
A superposition of spin helices can yield topological spin textures, such as skyrmion and hedgehog lattices. Based on the analogy with the moiré in optics, we study the magnetic and topological properties of such superpositions in a comprehensive way by modulating the interference pattern continuously. We find that the control of the angles between the superposed helices and the net magnetization yields successive topological transitions associated with pair annihilation of hedgehogs and antihedgehogs. Accordingly, emergent electromagnetic fields, magnetic monopoles and antimonopoles, and Dira…
In recent years, there have been numerous examples of twisted bilayer systems that host remarkable physical properties that are not found in their untwisted counterparts. Motivated by this, we study the properties of twisted bilayers of the Kitaev honeycomb model in the Abelian spin liquid phase. We show that for strong, short-ranged, interlayer interactions, a super-lattice of non-Abelian defects forms in the twisted bilayer system. These non-Abelian defects are wormhole-like genons that allow anyons from one layer to tunnel to the other layer. We find that when a magnetic field is applied to…
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 determine the phase diagram of a bilayer, Yao-Lee spin-orbital model with inter-layer interactions (J), for several stackings and moiré superlattices. For AA stacking, a gapped Z2 quantum spin liquid phase emerges at a finite Jc. We show that this phase survives in the well-controlled large-J limit, where an isotropic honeycomb toric code emerges. For moiré superlattices, a finite-q inter-layer hybridization is stabilized. This connects inequivalent Dirac points, effectively `untwisting' the system. Our study thus provides insight into the spin-liquid phases of bilayer spin-orbital Kitaev m…
Spontaneous order of layer pseudospins in two-dimensional bilayers is common in quantum Hall systems, where it is responsible for hysteretic responses to gate fields in states with Ising order, and giant drag voltages in states with XY (spontaneous inter-layer phase coherence) order. In this article we predict that layer pseudospin order will also occur in double-moiré strongly correlated two-dimensional electron systems. We comment on similarities and differences in the competition between the two types of order in quantum Hall and double-moiré systems, and relate our findings to previous wor…
We present a comprehensive theory of the magnetic phases in twisted bilayer Cr-trihalides through a combination of first-principles calculations and atomistic simulations. We show that the stacking-dependent interlayer exchange leads to an effective moiré field that is mostly ferromagnetic with antiferromagnetic patches. A wide range of noncollinear magnetic phases can be stabilized as a function of the twist angle and Dzyaloshinskii-Moriya interaction as a result of the competing interlayer antiferromagnetic coupling and the energy cost for forming domain walls. In particular, we demonstrate …
We predict that twisted bilayers of 1T-ZrS$_2$ realize a novel and tunable platform to engineer two-dimensional topological quantum phases dominated by strong spin-orbit interactions. At small twist angles, ZrS$_2$ heterostructures give rise to an emergent and twist-controlled moiré Kagomé lattice, combining geometric frustration and strong spin-orbit coupling to give rise to a moiré quantum spin Hall insulator with highly controllable and nearly-dispersionless bands. We devise a generic pseudo-spin theory for group-IV transition metal dichalcogenides that relies on the two-component character…
An unconventional insulating phase and a superconducting phase were recently discovered in the twisted bilayer graphene [Y. Cao et al, Nature {\bf 556}, 80; {\bf 556}, 43 (2018)], but the relevant low-energy electronic states have not been clearly identified yet. In this work, I show that the interlayer hopping induces a spatially modulated Dirac mass term in the continuum Hamiltonian, and leads to a low-energy band formed by Dirac zero modes in the moiré superlattice. This moiré band becomes extremely flat and thus strongly correlated as the Dirac velocity vanishes at the magic angle, and ent…
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…
So far the physics of moiré graphene bilayers at large, incommensurate rotation angles has been considered uninteresting. It has been held that the interlayer coupling in such structures is weak and the system can be thought of as a pair of decoupled single graphene sheets to a good approximation. Here, we demonstrate that for large rotation angles near commensurate ones, the interlayer coupling, far from being weak, is able to completely localize electrons to within a large scale, geometrically frustrated network of topologically protected modes. The emergent geometric frustration of the syst…
By using the first-principles method based on density of functional theory, we study the electronic properties of twisted bilayer graphene with some specific twist angles and interlayer spacings. With the decrease of the twist angle(the unit cell becomes larger), the energy band becomes narrower and Coulomb repulsion increases, leading to the enhancement of electronic correlation; On the other hand, as the interlayer spacing decreases and the interlayer coupling becomes stronger, the correlation becomes stronger. By tuning the interlayer coupling, we can realize the strongly correlated state w…
According to electronic structure theory, bilayer graphene is expected to have anomalous electronic properties when it has long-period moiré patterns produced by small misalignments between its individual layer honeycomb lattices. We have realized bilayer graphene moiré crystals with accurately controlled twist angles smaller than 1 degree and studied their properties using scanning probe microscopy and electron transport. We observe conductivity minima at charge neutrality, satellite gaps that appear at anomalous carrier densities for twist angles smaller than 1 degree, and tunneling densitie…
We show that the "dark condensates" that arise when excitons form a Bose-Einstein condensate in a material with an indirect bandgap are not completely dark to optical emission. Rather, such states are "leaky condensates" in which optical emission is facilitated by many-body interactions. We analyze the properties of these leaky condensates in the context of twisted bilayers of transition metal dichalcogenides, which host strongly interacting excitons and an indirect bandgap. We show that this interaction-driven "leaky" emission dominates photoluminescence at low temperatures, with distinctive …
Twisted double- and mono-bilayer graphene are graphene-based moiré materials hosting strongly correlated fermions in a gate-tunable conduction band with a topologically non-trivial character. Using unbiased exact diagonalization complemented by unrestricted Hartree-Fock calculations, we find that the strong electron-electron interactions lead to a non-coplanar magnetic state, which has the same symmetries as the tetrahedral antiferromagnet on the triangular lattice and can be thought of as a skyrmion lattice commensurate with the moiré scale, competing with a set of ferromagnetic, topological …
We present a comprehensive dynamical mean field study of the triangular lattice moiré Hubbard model, which is believed to represent the physics of moiré bilayer transition metal dichalcogenides. In these materials, important aspects of the band structure including the bandwidth and the order and location of van Hove singularities can be tuned by varying the interlayer potential. We present a magnetic and metal-insulator phase diagram and a detailed study of the dependence of the resistivity on temperature, band filling and interlayer potential. We find that transport displays Fermi liquid, str…
Recent experiments have observed possible spin- and valley-polarized insulators and spin-triplet superconductivity in twisted double bilayer graphene, a moire structure consisting of a pair of Bernal-stacked bilayer graphene. Besides the continuously tunable band widths controlled by an applied displacement field and twist angle, these moire bands also possess van Hove singularities near the Fermi surface and a field-dependent nesting which is far from perfect. Here we carry out a perturbative renormalization group analysis to unbiasedly study the competition among all possible instabilities i…
Utilizing the realistic continuum description of twisted bilayer MoTe2 and many-body exact diagonalization calculation, we establish that the second moiré band of twisted bilayer MoTe2, at a small twist angle of approximately 2°, serves as an optimal platform for achieving the long-sought non-Abelian fractional quantum anomalous Hall states without the need for external magnetic fields. Across a wide parameter range, our exact diagonalization calculations reveal that the half-filled second moiré band demonstrates the ground state degeneracy and spectral flows, which are consistent with the pfa…
We investigate twisted double bilayer graphene (TDBG), a four-layer system composed of two AB-stacked graphene bilayers rotated with respect to each other by a small angle. Our ab initio band structure calculations reveal a considerable energy gap at the charge point neutrality that we assign to the intrinsic symmetric polarization (ISP). We then introduce the ISP effect into the tight-binding parameterization and perform calculations on TDBG models that include lattice relaxation effects down to very small twist angles. We identify a narrow region around the magic angle $θ^\circ = 1.3^{\circ}…
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…
The recent discovery of superconductivity in magic-angle twisted bilayer graphene has sparked a renewed interest in the strongly-correlated physics of $sp^2$ carbons, in stark contrast to preliminary investigations which were dominated by the one-body physics of the massless Dirac fermions. We thus provide a self-contained, theoretical perspective of the journey of graphene from its single-particle physics-dominated regime to the strongly-correlated physics of the flat bands. Beginning from the origin of the Dirac points in condensed matter systems, we discuss the effect of the superlattice on…
