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 $θ\lesssim 2^\circ$.
We present a simple derivation of a continuum Hamiltonian for bilayer graphene with an arbitrary smooth lattice deformation -- technically in a fashion parametrized by displacement fields with small gradients. We show that this subsumes the continuum model of Bistritzer and Macdonald for twisted bilayer grapheneas well as many generalizations and extensions of it. The derivation is carried out entirely in real space.
The effects of the long range electrostatic interaction in twisted bilayer graphene are described using the Hartree-Fock approximation. The results show a significant dependence of the band widths and shapes on electron filling, and the existence of broken symmetry phases at many densities, either valley/spin polarized, with broken sublattice symmetry, or both.
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…
Twisted bilayer graphene (TBG) near "magic angles" has emerged as a rich platform for strongly correlated states of two-dimensional Dirac semimetals. Here we show that twisted bilayers of thin-film magnetic topological insulators (MTI) with large in-plane magnetization can realize flat bands near 2D Dirac nodes. Using a simple model for thin films of MTIs, we derive a continuum model for two such MTIs, twisted by a small angle with respect to each other. When the magnetization is in-plane, we show that interlayer tunneling terms act as effective $SU(2)$ vector potentials, which are known to le…
Search for higher-order topological insulators, characterized by topologically protected gapless boundary states of codimension higher than one, in bosonic systems has attracted growing interest. Here, we establish twisted bilayer honeycomb magnets as a new platform for hosting second-order topological magnon insulators (SOTMIs) without fine-tuning. We employ a simple, minimal Heisenberg spin model to describe misaligned bilayer sheets of honeycomb ferromagnetic magnets with a large commensurate twist angle. We found that the higher-order topology in this bilayer system shows a significant dep…
We compute the phase diagram of twisted bilayer graphene near the magic angle where the occurrence of flat bands enhances the effects of electron-electron interactions and thus unleashes strongly-correlated phenomena. Most importantly, we find a crossover between d+id superconductivity and Mott insulating behavior near half-filling of the lowest electron band when the temperature is increased. This is consistent with recent experiments. Our results are obtained using unbiased many-body renormalization group techniques combined with a mean-field analysis of the effective couplings.
Twisted bilayer graphene with a twist angle of around 1.1° features a pair of isolated flat electronic bands and forms a strongly correlated electronic platform. Here, we use scanning tunneling microscopy to probe local properties of highly tunable twisted bilayer graphene devices and show that the flat bands strongly deform when aligned with the Fermi level. At half filling of the bands, we observe the development of gaps originating from correlated insulating states. Near charge neutrality, we find a previously unidentified correlated regime featuring a substantially enhanced flat band split…
The effect of an hexagonal boron nitride (hBN) layer close aligned with twisted bilayer graphene (TBG) is studied. At sufficiently low angles between twisted bilayer graphene and hBN, $θ_{hBN} \lesssim 2^\circ$, the graphene electronic structure is strongly disturbed. The width of the low energy peak in the density of states changes from $W \sim 5 - 10$ meV for a decoupled system to $\sim 20 - 30$ meV. Spikes in the density of states due to van Hove singularities are smoothed out. We find that for a realistic combination of the twist angle in the TBG and the twist angle between the hBN and the…
The recent discovery of correlated insulator states and superconductivity in magic-angle twisted bilayer graphene has paved the way to the experimental investigation of electronic correlations in tunable flat band systems realized in twisted van der Waals heterostructures. This novel twist angle degree of freedom and control should be generalizable to other 2D systems, which may exhibit similar correlated physics behavior while at the same time enabling new techniques to tune and control the strength of electron-electron interactions. Here, we report on a new highly tunable correlated system b…
In this work we carry out a theoretical study of the phonon-induced resistivity in twisted double bilayer graphene (TDBG), in which two Bernal-stacked bilayer graphene devices are rotated relative to each other by a small angle $θ$. We show that at small twist angles ($θ\sim 1^\circ$) the effective mass of the TDBG system is greatly enhanced, leading to a drastically increased phonon-induced resistivity in the high-temperature limit where phonon scattering leads to a linearly increasing resistivity with increasing temperature. We also discuss possible implications of our theory on superconduct…
We propose a method for studying the strong interaction regimes in twisted bilayer graphene using hybrid Wannier functions, that are Wannier-like in one direction and Bloch-like in the other. We focus on the active bands as given by the continuum model proposed by Bistritzer and MacDonald, and discuss the properties of corresponding hybrid Wannier functions. We then employ the method for a study of the fillings of $\pm 3$ electrons per moiré cell using the Hartree-Fock method. We discuss at length different regimes under which a quantized anomalous Hall effect is seen in these two fillings.
We investigate the many-body instabilities of electrons interacting near Van Hove singularities arising in monolayer and twisted bilayer graphene. We show that a pairing instability must be dominant over the tendency to magnetic order as the Fermi level is tuned to the Van Hove singularity in the conduction band of graphene. As a result of the extended character of the saddle points in the dispersion, we find that the pairing of the electrons takes place preferentially in a channel of f-wave symmetry, with an order parameter vanishing at the position of the saddle points along the Fermi line. …
Kitaev quantum spin liquids have been the focus of intense research effort thanks to the discovery of various materials (e.g., RuCl3) that approximate their intriguing physics. In this paper we construct a mean-field approximation for a moir`e superlattice emerging in twisted Kitaev bilayers in terms of solutions of commensurate bilayers. We show that the band structure of deconfined spinons, defined on the mini-Brillouin zone of the superlattice, is greatly modified. The system exhibits a hyper-magic manifold: a series of nearly perfectly-flat bands appear at energies above the lowest gap, ex…
Twisted bilayer graphenes with magical angle exhibit strongly correlated electronic properties because of the isolated flat band at the Fermi level. We studied the twisted bilayer graphene with substrates on both layers. The substrate induce Kekul$\acute{e}$ distortion for each graphene layer. The systems are investigated by both continuous Dirac Fermion model and tight binding model. The two investigations give similar conclusion that isolated flat band with ultra-narrow bandwidth could appear.
We predict twisted double bilayer graphene to be a versatile platform for the realization of fractional Chern insulators readily targeted by tuning the gate potential and the twist angle. Remarkably, these topologically ordered states of matter, including spin singlet Halperin states and spin polarized states in Chern number $\mathcal C=1$ and $\mathcal{C}= 2$ bands, occur at high temperatures and without the need for an external magnetic field.
The ability to control the strength of interaction is essential for studying quantum phenomena emerging from a system of correlated fermions. For example, the isotope effect illustrates the effect of electron-phonon coupling on superconductivity, providing an important experimental support for the BCS theory. In this work, we report a new device geometry where the magic-angle twisted bilayer graphene (tBLG) is placed in close proximity to a Bernal bilayer graphene (BLG) separated by a 3 nm thick barrier. Using charge screening from the Bernal bilayer, the strength of electron-electron Coulomb …
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…
The degeneracy of Landau levels flanking charge neutrality in twisted bilayer graphene is known to change from eight-fold to four-fold when the twist angle is reduced to values near the magic angle of $\approx 1.05^\circ$. This degeneracy lifting has been reproduced in experiments by multiple groups, and is known to occur even in devices which do not harbor the correlated insulators and superconductors. We propose $C_3$ symmetry breaking as an explanation of such robust degeneracy lifting, and support our proposal by numerical results on the Landau level spectrum in near-magic-angle twisted bi…
We show that the twisted graphene bilayer can reveal unusual topological properties at low energies, as a consequence of a Dirac-point splitting. These features rely on a symmetry analysis of the electron hopping between the two layers of graphene and we derive a simplified effective low-energy Hamiltonian which captures the essential topological properties of twisted bilayer graphene. The corresponding Landau levels peculiarly reveal a degenerate zero-energy mode which cannot be lifted by strong magnetic fields.
We study the edge states of twisted bilayer graphene and their topological origin. We show that the twisted bilayer graphene has special edge states associated with the moiré pattern, and the emergence of these moiré edge states is linked with the sliding Chern number, which describes topological charge pumping caused by relative interlayer sliding. When one layer of the twisted bilayer is relatively slid with respect to the other layer, the edge states are transferred from a single band to another across the band gap, and the number of the edge states pumped in a sliding cycle is shown to be …
We introduce a minimum tight-binding model with only three parameters extracted from graphene and untwisted bilayer graphene. This model reproduces quantitatively the electronic structure of not only these two systems and bulk graphite near the Fermi level, but also that of twisted bilayer graphene including the value of the magic angle, at which bands at $E_F$ flatten without overlap and two gaps open, one above and one below $E_F$. The Hamiltonian is sufficiently transparent and flexible to be adopted to other twisted layered systems.
Currently there is a lively discussion concerning Fermi velocity renormalization in twisted bilayers and several contradicted experimental results are reported. Here we study electronic structures of the twisted bilayers by scanning tunneling microscopy (STM) and spectroscopy (STS). The interlayer coupling strengths between the adjacent bilayers are measured according to energy separations of two pronounced low-energy van Hove singularities (VHSs) in the STS spectra. We demonstrate that there is a large range of values for the interlayer interaction in different twisted bilayers. Below the VHS…
Twisted bilayer graphene with tiny rotation angles have drawn significant attention due to the observation of the unconventional superconducting and correlated insulating behaviors. In this paper, we employ a full tight-binding model to investigate collective excitations in twisted bilayer graphene near magic angle. The polarization function is obtained from the tight-binding propagation method without diagonalization of the Hamiltonian matrix. With the atomic relaxation considered in the simulation, damped and undamped interband plasmon modes are discovered near magic angle under both room te…
We report scanning tunneling microscopy (STM) and spectroscopy (STS) of twisted graphene bilayer on SiC substrate. For twist angle ~ 4.5o the Dirac point ED is located about 0.40 eV below the Fermi level EF due to the electron doping at the graphene/SiC interface. We observed an unexpected result that the local Dirac point around a nanoscaled defect shifts towards the Fermi energy during the STS measurements (with a time scale about 100 seconds). This behavior was attributed to the decoupling between the twisted graphene and the substrate during the measurements, which lowers the carrier densi…
Twisted bilayer graphene is an excellent example of highly correlated system demonstrating a nearly flat electron band, the Mott transition and probably a spin liquid state. Besides the one-electron picture, analysis of Dirac points is performed in terms of spinon Fermi surface in the limit of strong correlations. Application of gauge field theory to describe deconfined spin liquid phase is treated. Topological quantum transitions, including those from small to large Fermi surface in the presence of van Hove singularities, are discussed.
Angle disorder is an intrinsic feature of twisted bilayer graphene and other moiré materials. Here, we discuss electron transport in twisted bilayer graphene in the presence of angle disorder. We compute the local density of states and the Landauer-Büttiker transmission through an angle disorder barrier of width comparable to the moiré period, using a decimation technique based on a real space description. We find that barriers which separate regions where the width of the bands differ by 50% or more lead to a minor suppression of the transmission, and that the transmission is close to one for…
Twisted bilayer graphene provides a new two-dimensional platform for studying electron interaction phenomena and flat band properties such as correlated insulator transition, superconductivity and ferromagnetism at certain magic angles. Here, we present strong evidence of correlated insulator states and superconductivity signatures in p-type twisted double-bilayer WSe$_2$. Enhanced interlayer interactions are observed when the twist angle decreases to a few degrees as reflected by the high-order satellites in the electron diffraction patterns taken from the 2H/3R-stacked domains reconstructed …
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}…
We use temperature-dependent resistivity in small-angle twisted double bilayer graphene to measure bandwidths and gaps of the bands. This electron-hole asymmetric system has one set of non-dispersing bands that splits into two flat bands with the electric field - distinct from the twisted bilayer system. With electric field, the gap between two emergent flat bands increases monotonically and bandwidth is tuned from 1 meV to 15 meV. These two flat bands with gap result in a series of thermally induced insulator to metal transitions - we use a model, at charge neutrality, to measure the bandwidt…
We consider magnetic breakdown in twisted bilayer graphene where electrons may hop between semiclassical $k$-space trajectories in different layers. These trajectories within a doubled Brillouin zone constitute a network in which an $S$-matrix at each saddle point is used to model tunneling between different layers. Matching of the semiclassical wavefunctions throughout the network determines the energy spectrum. Semiclassical orbits with energies well below that of the saddle points are Landau levels of the Dirac points in each layer. These continuously evolve into {\it both} electron-like an…
We develop a theory for a qualitatively new type of disorder in condensed matter systems arising from local twist-angle fluctuations in two strongly coupled van der Waals monolayers twisted with respect to each other to create a flat band moiré superlattice. The new paradigm of 'twist angle disorder' arises from the currently ongoing intense research activity in the physics of twisted bilayer graphene. In experimental samples of pristine twisted bilayer graphene, which are nominally free of impurities and defects, the main source of disorder is believed to arise from the unavoidable and uncont…
Theory predicts that the application of an electric field breaks the inversion symmetry of AB and BA stacked domains in twisted bilayer graphene, resulting in the formation of a triangular network of one-dimensional valley-protected helical states. This two-dimensional network of one-dimensional states has been observed in several studies, but direct experimental evidence that the electronic transport in these one-dimensional states is valley-protected is still lacking. In this study, we report the existence of the network in small-angle twisted bilayer graphene at room temperature. Moreover, …
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…
We numerically calculate the optical conductivity of twisted graphene bilayers within the continuum model. To obtain the imaginary part, we employ the regularized Kramers-Kronig relation allowing us to discuss arbitrary twist angles, chemical potential and temperature. We find that the Drude weight $D$ as function of the chemical potential $μ$ closely follows the shell structure of twisted bilayer displayed by the density of states. For certain angles, this results in a transport gap D=0 at finite $μ$. We also discuss the loss function which, for low doping, is characterized by acoustic interb…
Twisted bilayer systems with discrete magic angles, such as twisted bilayer graphene featuring moiré superlattices, provide a versatile platform for exploring novel physical properties. Here, we discover a class of superflat bands in general twisted bilayer systems beyond the low-energy physics of magic-angle twisted counterparts. By considering continuous lattice dislocation, we obtain intrinsic localized states, which are spectrally isolated at lowest and highest energies and spatially centered around the AA stacked region, governed by the macroscopic effective energy potential well. Such lo…
Electronic structures and their Landau quantizations in twisted graphene bilayer and trilayer are investigated using scanning tunnelling microscopy and spectroscopy. In the twisted trilayer, the top graphene layer and second layer are AB (Bernal) stacking and there is a stacking misorientation between the second layer and third layer. Both the twisted bilayer and trilayer exhibit two pronounced low-energy van Hove singularities (VHSs) in their spectra. Below the VHSs, the observed Landau level quantization in the twisted bilayer is identical to that of massless Dirac fermion in graphene monola…
We apply a multiscale modeling approach to study lattice reconstruction in marginally twisted bilayers of transition metal dichalcogenides (TMD). For this, we develop DFT-parametrized interpolation formulae for interlayer adhesion energies of MoSe$_2$, WSe$_2$, MoS$_2$, and WS$_2$, combine those with elasticity theory, and analyze the bilayer lattice relaxation into mesoscale domain structures. Paying particular attention to the inversion asymmetry of TMD monolayers, we show that 3R and 2H stacking domains, separated by a network of dislocations develop for twist angles $θ^{\circ}<θ^{\circ}_P\…
Incommensurately twisted graphene bilayers are described by long-wavelength theories, but to date such theories exist only at small angles of interlayer rotation. We construct a long wavelength theory without such a restriction, instead requiring nearness to commensuration. The theory inherits its energy scale from the exactly commensurate bilayer that it is close to. It is a spatial interpolation between the low-energy theories of commensurate structures with the two possible sublattice exchange (SE) symmetries: SE even and SE odd. In addition to generalizing existing theories, our theory bri…
We report that two rotated layers of blue phosphorene behave as a direct band gap semiconductor. The optical spectrum shows absorption peaks in the visible region of the spectrum and in addition the energy of these peaks can be tuned with the rotational angle. These findings makes twisted bilayer blue phosphorene a strong candidate as a solar cell or photodetection device. Our results are based on ab initio calculations of several rotated blue phosphorene layers.
Recently, the twist angle between adjacent sheets of stacked van der Waals materials emerged as a new knob to engineer correlated states of matter in two-dimensional heterostructures in a controlled manner, giving rise to emergent phenomena such as superconductivity or correlated insulating states. Here,we use an ab initio based approach to characterize the electronic properties of twisted bilayer MoS2. We report that, in marked contrast to twisted bilayer graphene, slightly hole-doped MoS2 realizes a strongly asymmetric px-py Hubbard model on the honeycomb lattice, with two almost entirely di…
We show that a sliding motion between the two layers of a \moire superlattice induces an electric current and realizes a two-dimensional version of the topological Thouless pump when the Fermi energy lies in one of the minigaps. Interestingly, a chiral charge pump, namely, a transverse current induced by the sliding motion, is possible in twisted homobilayers. This result is confirmed by a concrete calculation of the adiabatic current in twisted bilayer graphene. Our work reveals an interesting link between mechanical motion and electricity unique to \moire superlattices, and may find applicat…
We study the transport properties of a twisted bilayer graphene flake contacted by two monolayer nanoribbons which act as leads. We analyze the conductance in terms of the spectra of the bilayer nanoribbon and the monolayer contacts. The low-energy transport properties are governed by the edge states with AB stacking. Remarkably, the electronic conductance in this energy region does not depend much on the relative position of the leads, in contrast with that of bilayer flakes with more symmetric stackings. We attribute this feature to the localization of these low-energy states in the AB edge …
We have studied the phonon specific heat in single-layer, bilayer and twisted bilayer graphene. The calculations were performed using the Born-von Karman model of lattice dynamics for intralayer atomic interactions and spherically symmetric interatomic potential for interlayer interactions. We found that at temperature T<15 K, specific heat varies with temperature as T^n, where n = 1 for graphene, n = 1.6 for bilayer graphene and n = 1.3 for the twisted bilayer graphene. The phonon specific heat reveals an intriguing dependence on the twist angle in bilayer graphene, which is particularly pron…
Selection rules and interference effects in angle resolved photoemission spectra from twisted graphene bilayers are studied within a long wavelength theory for the electronic structure. Using a generic model for the interlayer coupling, we identify features in the calculated ARPES momentum distributions that are controlled by the singularities and topological character of its long wavelength spectrum. We distinguish spectral features that are controlled by single-layer singularities in the spectrum, their modification by gauge potentials in each layer generated by the interlayer coupling, and …
We identify a mapping between two-dimensional (2D) electron transport in a minimally twisted graphene bilayer and a 1D quantum walk, where one spatial dimension plays the role of time. In this mapping a magnetic field B perpendicular to the bilayer maps onto an electric field. Bloch oscillations due to the periodic motion in a 1D Bloch band can then be observed in purely DC transport as magnetoconductance oscillations with periodicity set by the Bloch frequency.
A new implementation of stochastic many-body perturbation theory for periodic 2D systems is presented. The method is used to compute quasiparticle excitations in twisted bilayer phosphorene. Excitation energies are studied using stochastic $G_0W_0$ and partially self-consistent $\bar ΔGW_0$ approaches. The approach is inexpensive; it is used to study twisted systems with unit cells containing $>2,700$ atoms ($>13,500$ valence electrons), which corresponds to a minimum twisting angle of $\approx 3.1^\circ$. Twisted bilayers exhibit band splitting, increased localization and formation of localiz…
The electric structure of twisted bilayer GeSe, which shows a rectangular moiré pattern, is analyzed using a $\bm{k}\cdot\bm{p}$ type effective continuum model. The effective model is constructed on the basis of the the local approximation method, where the local lattice structure of a twisted bilayer system is approximated by its untwisted bilayer with parallel displacement, and the required parameters are fixed with the help of the first-principles method. By inspecting the twist angle dependence of the physical properties, we reveal a relation between the effective potential under moiré pat…
Flatbands with extremely narrow bandwidths on the order of a few mili-electron volts can appear in twisted multilayer graphene systems for appropriate system parameters. Here we investigate the electronic structure of a twisted bi-bilayer graphene, or twisted double bilayer graphene, to find the parameter space where isolated flatbands can emerge as a function of twist angle, vertical pressure, and interlayer potential differences. We find that in twisted bi-bilayer graphene the bandwidth is generally flatter than in twisted bilayer graphene by roughly up to a factor of two in the same paramet…
Focusing on the twist angle for the minimal commensurate structure, we perform nonperturbative calculations of electron dynamics in the twisted bilayer graphene (TBG) under intense laser fields. We show that the TBG exhibits enriched high-harmonic generation that cannot occur in monolayer or conventional bilayers. We elucidate the mechanism of these nonlinear responses by analyzing dynamical symmetries, momentum-resolved dynamics, and roles of interlayer coupling. Our results imply nonlinear "optotwistronics," or controlling optical properties of layered materials by artificial twists.
The mechanisms of optical activity and quantum transport of twisted bilayer graphene are studied. The formation of unique electron states in the bilayer systems is studied using an effective continuum model. Such states are shown to support the correlation of transverse motions of electrons in two graphene layers. Because of the chiral structure of the atomic lattices, the contribution of such drag correlations is incompletely cancelled, thus resulting in a drag term of the optical conductivity tensor. We show that the drag term of the conductivity is the manifestation of the spatial dispersio…
We investigate the band structure of twisted monolayer-bilayer graphene (tMBG), or twisted graphene on bilayer graphene (tGBG), as a function of twist angles and perpendicular electric fields in search of optimum conditions for achieving isolated nearly flat bands. Narrow bandwidths comparable or smaller than the effective Coulomb energies satisfying $U_{\textrm{eff}} /W \gtrsim 1$ are expected for twist angles in the range of $0.3^{\circ} \sim 1.5^{\circ}$, more specifically in islands around $θ\sim 0.5^{\circ}, \, 0.85^{\circ}, \,1.3^{\circ}$ for appropriate perpendicular electric field magn…
