We consider an effective Hubbard model with spin- and direction-dependent complex hoppings $t$, applied to twisted homobilayer WSe$_2$ using a variational Monte Carlo approach. The electronic correlations are taken into account by applying the Gutzwiller on-site correlator as well as long-range Jastrow correlators subjected to noninteracting part being of Pfaffian form. Our analysis shows the emergence of Mott insulating state at critical value of Hubbard interaction $U_{c1}\approx 6.5|t|\div7|t|$ estimated by extrapolating the density-density equal-time two-particle Green's functions. The signatures of an intermediate insulating phase between $U_{c1}$ and $U_{c2}\approx9.5|t|\div10|t|$ are also discussed. Furthermore, we report the formation of the $120^{\circ}$ in-plane Néel state indicated by the detailed analysis of the spin-spin correlation functions. As shown, switching between antiferromagnetic phases characterized by opposite chirality could be experimentally realized by the change of perpendicular electric field. In proper range of electric fields also a transition to in-plane ferromagnetic state appears.
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…
Shubnikov-de Haas oscillations of high mobility holes in monolayer and bilayer WSe$_2$: Landau level degeneracy, effective mass, and negative compressibility
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…
We propose a new mechanism for quantum anomalous Hall (QAH) effect in the AB stacked MoTe$_2$/WSe$_2$ system. Based on the observation that the inter-layer tunneling is suppressed in the AB stacking, we consider a model with two layers coupled through the Coulomb interaction. The moiré lattices of the two layers are shifted to form a honeycomb lattice together. Initially, the system is in a layer-polarized Mott insulator at $ν_T=1$. But with a displacement field, an equal number of holes and electrons are doped into the two layers respectively and they form inter-layer exciton condensation. Th…
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…
采用双层扭曲哈伯德模型研究了Sr 3 Ir 2 O 7的低能电子结构。Sr_3Ir_2O_7被认为是一种莫特绝缘体，并可用双层扭曲赝自旋1/2模型来描述。Sr_3Ir_2O_7中的双层扭曲带来了本征各向异性，系统不再是SU（2）不变的。各向异性选择一个容易的c轴共线反铁磁磁结构在低温下，打破了离散伊辛对称性。横向自旋激发是带隙的，纵向自旋激发是弱色散的。我们实现键算子平均场计算来描述的双层扭曲赝自旋1/2模型的磁性能与实验测量Sr 3 Ir 2 O 7。双层扭曲哈伯德模型被认为是Sr 3 Ir 2 O 7的低能电子结构的良好的零阶近似。
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…
Gossamer Superconductivity in Moiré WSe$_2$ Bilayer
ShanghaiTech University（上海科技大学）；Peking University（北京大学）；Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所）；Kavli Institute for Theoretical Sciences, University of Chinese Academy of Sciences（中国科学院大学理论科学研究中心）
Magnetic and Transport Properties of a Coupled Hubbard Bilayer with Electron and Hole Doping
单带、二维哈伯德哈密顿量作为高温超导模型已被广泛研究。虽然量子蒙特卡罗模拟内的动态集群近似，现在提供了相当多的证据，在低温下的d-波超导状态，这样的过渡仍然远远超出了有限晶格模拟，因为“符号问题”。我们在这里表明，双层哈伯德模型，其中一层是电子掺杂和一层是空穴掺杂，可以研究到较低的温度，并表现出一个有趣的信号的d波配对。我们的模拟结果承担相似的磁性和超导性质的Ba $_2$ Ca $_3$ Cu $_4$ O $_8$ F $_2$，其中包含电子和空穴掺杂的CuO $_2$平面的最近报告。我们还探讨了双层模型的相图，其中每个表是在半填充。
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 …
The advent of twisted moiré heterostructures as a playground for strongly correlated electron physics has led to a plethora of experimental and theoretical efforts seeking to unravel the nature of the emergent superconducting and insulating states. Amongst these layered compositions of two dimensional materials, transition metal dichalcogenides (TMDs) are by now appreciated as highly-tunable platforms to simulate reinforced electronic interactions in the presence of low-energy bands with almost negligible bandwidth. Here, we focus on the twisted homobilayer WSe$_2$ and the insulating phase at …
In this paper, we derive lattice models for the narrow moiré bands of the AB-stacked twisted WSe$_2$ homobilayer through continuum model and Wannier orbital construction. Previous work has shown that an approximate SU(4) Hubbard model may be realized by combining spin and layer because inter-layer tunneling is suppressed due to spin $S_z$ conservation. However, Rashba spin-orbit coupling (SOC) was ignored in the previous analysis. Here, we show that a Rashba SOC of reasonable magnitude can induce a finite but very small inter-layer hopping in the final lattice Hubbard model. At total filling $…
Moiré materials provide fertile ground for the correlated and topological quantum phenomena. Among them, the quantum anomalous Hall (QAH) effect, in which the Hall resistance is quantized even under zero magnetic field, is a direct manifestation of the intrinsic topological properties of a material and an appealing attribute for low-power electronics applications. The QAH effect has been observed in both graphene and transition metal dichalcogenide (TMD) moiré materials. It is thought to arise from the interaction-driven valley polarization of the narrow moiré bands. Here, we show surprisingly…
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…
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…
Emergent quantum phases driven by electronic interactions can manifest in materials with narrowly dispersing, i.e. "flat", energy bands. Recently, flat bands have been realized in a variety of graphene-based heterostructures using the tuning parameters of twist angle, layer stacking and pressure, and resulting in correlated insulator and superconducting states. Here we report the experimental observation of similar correlated phenomena in twisted bilayer tungsten diselenide (tWSe2), a semiconducting transition metal dichalcogenide (TMD). Unlike twisted bilayer graphene where the flat band appe…
Magic-angle twisted bilayer graphene (TBG), with rotational misalignment close to 1.1$^\circ$, features isolated flat electronic bands that host a rich phase diagram of correlated insulating, superconducting, ferromagnetic, and topological phases. The origins of the correlated insulators and superconductivity, and the interplay between them, are particularly elusive. Both states have been previously observed only for angles within $\pm0.1^\circ$ from the magic-angle value and occur in adjacent or overlapping electron density ranges; nevertheless, it is still unclear how the two states are rela…
Probing Quantum Anomalous Hall States in Twisted Bilayer WSe2 via Attractive Polaron Spectroscopy
Joint Quantum Institute (JQI), University of Maryland（马里兰大学联合量子研究所）；Electrical Engineering Department, University of Maryland（马里兰大学电气工程系）；Center for Functional Nanomaterials, Brookhaven National Laboratory（布鲁克海文国家实验室功能纳米材料中心）
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…
