Layered van der Waals materials have risen as powerful platforms to artificially engineer correlated states of matter. Here we show the emergence of a multiferroic order in a twisted dichalcogenide bilayer superlattice at quarter-filling. We show that the competition between Coulomb interactions leads to the simultaneous emergence of ferrimagnetic and ferroelectric orders. We derive the magnetoelectric coupling for this system, which leads to a direct strong coupling between the charge and spin orders. We show that, due to intrinsic spin-orbit coupling effects, the electronic structure shows a non-zero Chern number, thus displaying a topological multiferroic order. We show that this topological state gives rise to interface modes at the different magnetic and ferroelectric domains of the multiferroic. We demonstrate that these topological modes can be tuned with external electric fields as well as triggered by supermoire effects generated by a substrate. Our results put forward twisted van der Waals materials as a potential platform to explore multiferroic symmetry breaking orders and, ultimately, controllable topological excitations in magnetoelectric domains.
The long wavelength moiré superlattices in twisted 2D structures have emerged as a highly tunable platform for strongly correlated electron physics. We study the moiré bands in twisted transition metal dichalcogenide homobilayers, focusing on WSe$_2$, at small twist angles using a combination of first principles density functional theory, continuum modeling, and Hartree-Fock approximation. We reveal the rich physics at small twist angles $θ<4^\circ$, and identify a particular magic angle at which the top valence moiré band achieves almost perfect flatness. In the vicinity of this magic angle, …
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 …
A Wigner crystal, a regular electron lattice arising from strong correlation effects, is one of the earliest predicted collective electronic states. This many-body state exhibits quantum and classical phase transitions and has been proposed as a basis for quantum information processing applications. In semiconductor platforms, two-dimensional Wigner crystals have been observed under magnetic field or moiré-based lattice potential where the electron kinetic energy is strongly suppressed. Here, we report bilayer Wigner crystal formation without a magnetic or confinement field in atomically thin …
Moire superlattices of transition metal dichalcogenide (TMD) bilayers have been shown to host correlated electronic states, which arises from the interplay of emergent moire potential and long-range Coulomb interactions. Here we theoretically investigate structural relaxation and single-particle electronic properties in moire superlattices of transition metal dichalcogenide homobilayer and study the ground state charge orders in the effective honeycomb lattice of MX and XM region. From the large-scale density functional theory calculation and continuum model with layer degrees of freedom, we f…
The crystal structure of a material creates a periodic potential that electrons move through giving rise to the electronic band structure of the material. When two-dimensional materials are stacked, the twist angle between the layers becomes an additional degree freedom for the resulting heterostructure. As this angle changes, the electronic band structure is modified leading to the possibility of flat bands with localized states and enhanced electronic correlations. In transition metal dichalcogenides, flat bands have been theoretically predicted to occur for long moiré wavelengths over a ran…
The observation of flat energy bands in transition metal dichalcogenide bilayers such as twisted WSe${}_2$ makes those materials interesting prospects for reproducing the behavior observed in graphene-based systems. We use an effective Hubbard model providing a description of twisted WSe${}_2$ to explore the presence of superconductivity, which was previously reported in experiments. Using both the variational cluster approximation and cluster dynamical mean-field theory, we predict the existence of chiral supercondictivity of type $d\pm id$ that can be tuned by the twist angle and by the appl…
While transition metal dichalcogenide (TMD) based moire materials have been shown to host various correlated electronic phenomena, topological states have not been experimentally observed until now. In this work, using first principles calculations and continuum modeling, we reveal the displacement field induced topological moire bands in AB-stacked TMD heterobilayer MoTe2/WSe2. Valley contrasting Chern bands with non-trivial spin texture are formed from interlayer hybridization between MoTe2 and WSe2 bands of nominally opposite spins. Our study establishes a recipe for creating topological ba…
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…
Twisted multilayers of two-dimensional (2D) materials are an increasingly important platform for investigating quantum phases of matter, and in particular, strongly correlated electrons. The moiré pattern introduced by the relative twist between layers creates effective potentials of long-wavelength, leading to electron localization. However, in contrast to the abundance of 2D materials, few twisted heterostructures have been studied until now. Here we develop a first-principle continuum theory to study the electronic bands introduced by moire patterns of twisted Janus transition metal dichalc…
We study the electronic structure of hole-doped transition metal dichalcogenides for small twist-angels, where the onsite repulsion is extremely strong. Using unbiased diagrammatic Monte Carlo simulations, we find evidence for magnetic correlations which are driven by delocalization and can be controlled in situ via the dielectric environment. For weak spin-orbit coupling, we find that the moderately doped system becomes anti-ferromagnetic, whilst the regime of strong spin-orbit coupling features ferromagnetic correlations. We show that this behavior is accurately predicted by an analytical th…
Artificial moiré superlattices in 2d van der Waals heterostructure is a new venue for realizing and controlling correlated electronic phenomena. Recently, twisted bilayer WSe$_2$ emerged as a new robust moiré system hosting a correlated insulator at moiré half-filling over a range of twist angle. In this work, we present a theory of this insulating state as an excitonic density wave due to intervalley electron-hole pairing. We show that exciton condensation is strongly enhanced by a van Hove singularity near the Fermi level. Our theory explains the remarkable sensitivity of the insulating gap …
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 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…
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…
Twistronic assembly of 2D materials employs the twist angle between adjacent layers as a tuning parameter for designing the electronic and optical properties of van der Waals heterostructures. Here, we study how interlayer hybridization, weak ferroelectric charge transfer between layers, and piezoelectric response to deformations set the valence and conduction band edges across the moir{é} supercell in twistronic homobilayers of MoS$_2$, MoSe$_2$, WS$_2$ and WSe$_2$. We show that, due to the lack of inversion symmetry in the monolayer crystals, bilayers with parallel (P) and anti-parallel (AP)…
Experimental demonstrations of tunable correlation effects in magic-angle twisted bilayer graphene have put two-dimensional moiré quantum materials at the forefront of condensed-matter research. Other twisted few-layer graphitic structures, boron-nitride, and homo- or hetero-stacks of transition metal dichalcogenides (TMDs) have further enriched the opportunities for analysis and utilization of correlations in these systems. Recently, within the latter material class, strong spin-orbit coupling or excitonic physics were experimentally explored. The observation of a Mott insulating state and ot…
Moiré patterns are known to confine electronic states in transition metal dichalcogenide bilayers, thus generalizing the notion of magic angles discovered in twisted bilayer graphene to semiconductors. Here, we present a revised Slater-Koster tight-binding model that facilitates the first reliable and systematic studies of such states in twisted bilayer MoS$_2$ for the whole range of rotation angles $θ$. We show that isolated bands appear at low energy for $θ\lesssim 5 - 6^\circ$. Moreover, these bands become "flatbands", characterized by a vanishing average velocity, for the smallest angles $…
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…
Janus dichalcogenide multilayers provide a paradigmatic platform to engineer electronic phenomena dominated by spin-orbit coupling. Their unique spin-orbit effects stem from local mirror symmetry breaking in each layer, which induces a colossal Rashba spin-orbit effect in comparison with the conventional dichalcogenide counterparts. Here we put forward twisted dichalcogenide bilayers as a simple platform to realize spin-orbit correlated states. We demonstrate the emergence of flat bands featuring strong spin-momentum locking and the emergence of non-collinear symmetry broken states when intera…
Transition metal dichalcogenide (TMD) bilayers have recently emerged as a robust and tunable moiré system for studying and designing correlated electron physics. In this work, by combining large-scale first principle calculation and continuum model approach, we provide an electronic structure theory that maps long-period heterobilayer TMD superlattices onto diatomic crystals with cations and anions. We find that the interplay between moiré potential and Coulomb interaction leads to filling-dependent charge transfer between MM and MX regions several nanometers apart. We show that the insulating…
We study the effects of heterostrain on moiré bands in twisted bilayer graphene and bilayer transition metal dichalcogenide (TMD) systems. For bilayer graphene with twist angle near $1^\circ$, we show that heterostrain significantly increases the energy separation between conduction and valence bands as well as the Dirac velocity at charge neutrality, which resolves several puzzles in scanning tunneling spectroscopy and quantum oscillation experiments at once. For bilayer TMD, we show that applying small heterostrain generally leads to flat moiré bands that are highly tunable.
The valence band maxima of most group-VI transition metal dichalcogenide thin films remain at the $Γ$-point all the way from bulk to bilayer. In this paper we develop a continuum theory of the moirè minibands that are formed in the valence bands of $Γ$-valley homobilayers by a small relative twist. Our effective theory is benchmarked against large-scale ab initio electronic structure calculations that account for lattice relaxation. As a consequence of an emergent $D_6$ symmetry we find that low-energy $Γ$-valley moirè holes differ qualitatively from their K-valley counterparts addressed previ…
Quantum Phases in Twisted Homobilayer Transition Metal Dichalcogenides
School of Physics and Technology, Wuhan University（武汉大学物理科学与技术学院）；Wuhan Institute of Quantum Technology（武汉量子技术研究院）；Department of Physics, University of Texas at Austin（德克萨斯大学奥斯汀分校物理系）
Twisted van der Waals materials have become a paradigmatic platform to realize exotic correlated states of matter. Here, we show that a twisted dichalcogenide bilayer (WSe$_2$) encapsulated between a magnetic van der Waals material (CrBr$_3$) features flat bands with tunable valley and spin flavors. We demonstrate that, when electron-electron interactions are included, spin-ferromagnetic and valley-ferromagnetic states emerge in the flat bands, stemming from the interplay between correlations, intrinsic spin-orbit coupling and exchange proximity effects. We show that the specific symmetry brok…
Studies of twisted moiré systems have been mainly focused on two-dimensional (2D) materials such as graphene with Dirac points and transition-metal-dichalcogenide so far. Here we propose a twisted bilayer of 2D systems which feature stable quadratic-band-touching points and find exotic physics different from previously studied twisted moiré systems. Specifically, we show that exactly flat bands can emerge at magic angles and, more interestingly, each flat band exhibits a high Chern number ($C=\pm 2$). We further consider the effect of Coulomb interactions in such magic-angle twisted systems an…
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…
We consider twisted bilayer graphene on a transition metal dichalcogenide substrate, where proximity-induced spin-orbit coupling significantly alters the eight flat bands which occur near the magic angle. The resulting band structure features a pair of extremely flat bands across most of the mini-Brillouin zone. Further details depend sensitively on the symmetries of the heterostructure; we find semiconducting band structures when all two-fold rotations around in-plane axis are broken, and semi-metallic band structures otherwise. We calculate the Chern numbers of the different isolated bands, …
